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BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20240122T140000
DTEND;TZID=Europe/Berlin:20240122T150000
DTSTAMP:20260503T164914
CREATED:20240109T124332Z
LAST-MODIFIED:20240109T132055Z
UID:72777-1705932000-1705935600@www.h-its.org
SUMMARY:Colloquium Meik Bittkowski: Augmenting Science Journalism - The development of technology-based support for science journalism at the Science Media Center Germany
DESCRIPTION:  \nBy Meik Bittkowski\, Science Media Center Germany\, Cologne \n  \nOne way to augment (not replace) science journalism is to provide technological support for journalistic work processes\, from monitoring and research to the production of new content. The Science Media Center Germany\, founded in 2015\, had its own R&D lab right from the start to explore the possibilities of this form of augmentation and test it in prototype applications. This talk will take you through the stages of our journey so far\, which began here at HITS in 2012. \n  \nShort CV: \nMeik Bittkowski is Head of Research and Development at the Science Media Center (SMC)\, responsible in particular for the SMC Lab. He has many years of experience with data journalism projects\, including at HITS in Heidelberg. He studied philosophy and German studies as well as computer science and received his doctorate in philosophy. \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate online\, please register in advance here.\n\n\n\nAfter registering\, you will receive a confirmation email containing information about joining the meeting.\n\n\nIn case you are not able to attend\, you can watch the talk afterwards on the HITS YouTube channel: https://www.youtube.com/user/TheHITSters.
URL:https://www.h-its.org/event/colloquium-meik-bittkowski/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/png:https://www.h-its.org/wp-content/uploads/2024/01/Foto_Meik.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20231214T140000
DTEND;TZID=Europe/Berlin:20231214T180000
DTSTAMP:20260503T164914
CREATED:20230511T134133Z
LAST-MODIFIED:20231214T162721Z
UID:68769-1702562400-1702576800@www.h-its.org
SUMMARY:10th SIMPLAIX internal project meeting
DESCRIPTION:The 10th SIMPLAIX internal project meeting will take place online.
URL:https://www.h-its.org/event/10th-simplaix-internal-project-meeting/
ATTACH;FMTTYPE=image/png:https://www.h-its.org/wp-content/uploads/2021/12/SIMPLAIX_Profilbild.png
END:VEVENT
BEGIN:VEVENT
DTSTART;VALUE=DATE:20231128
DTEND;VALUE=DATE:20231201
DTSTAMP:20260503T164914
CREATED:20230809T143141Z
LAST-MODIFIED:20230809T143621Z
UID:70477-1701129600-1701388799@www.h-its.org
SUMMARY:Tools for Systems biology modeling and data exchange: COPASI\, CellNetAnalyzer\, SABIO-RK\, FAIRDOMHub/SEEK
DESCRIPTION:During this 3-day course\, attendees will learn basic techniques for modeling of biochemical networks including data access and storage due to the FAIR principles. The first day introduces principles of stoichiometric and constraint-based modeling coupled with hands on exercises using CellNetAnalyzer. The second day continues with kinetic modeling techniques which will be illustrated and exercised with COPASI. The third day SABIO-RK is used as a resource for kinetic data and FAIRDOMHub/SEEK is introduced as a data and model management platform fitted to the needs of systems biologists. The hands on exercises throughout the three days will ensure that attendees become familiar with the software tools and with analyzing\, creating\, editing\, importing\, simulating and storing biochemical networks.
URL:https://www.h-its.org/event/tools-for-systems-biology-modeling-and-data-exchange-copasi-cellnetanalyzer-sabio-rk-fairdomhub-seek-4/
LOCATION:Magdeburg\, Magdeburg\, Germany
CATEGORIES:Workshops and Conferences
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20231120T110000
DTEND;TZID=Europe/Berlin:20231120T120000
DTSTAMP:20260503T164914
CREATED:20231025T115631Z
LAST-MODIFIED:20260126T095501Z
UID:71849-1700478000-1700481600@www.h-its.org
SUMMARY:Colloquium Laura Maria Sangalli: Physics-Informed Spatial and Functional Data Analysis over non-Euclidean Domains
DESCRIPTION:  \nBy Laura Maria Sangalli\, MOX – Dipartimento di Matematica\, Politecnico di Milano\, Italy \n  \nRecent years have seen an explosive growth in the recording of increasingly complex and high-dimensional data\, whose analysis calls for the definition of new methods\, merging ideas and approaches from statistics and applied mathematics. My talk will focus on spatial and functional data observed over non-Euclidean domains\, such as linear networks\, two-dimensional Riemannian manifolds and non-convex volumes. I will present an innovative class of methods\, based on regularizing terms involving Partial Differential Equations (PDEs)\, defined over the complex domains being considered. These Physics-Informed statistical learning methods enable the inclusion of the available problem specific information\, suitably encoded in the regularizing PDE. Illustrative applications from environmental and life sciences will be presented. \n  \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate online\, please register in advance here.\n\n\n\nAfter registering\, you will receive a confirmation email containing information about joining the meeting.\n\n\nIn case you are not able to attend\, you can watch the talk afterwards on the HITS YouTube channel: https://www.youtube.com/user/TheHITSters.\n 
URL:https://www.h-its.org/event/colloquium-laura-maria-sangalli/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/png:https://www.h-its.org/wp-content/uploads/2023/10/Foto-sangalli.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20231023T110000
DTEND;TZID=Europe/Berlin:20231023T120000
DTSTAMP:20260503T164914
CREATED:20231016T074019Z
LAST-MODIFIED:20260126T095513Z
UID:71600-1698058800-1698062400@www.h-its.org
SUMMARY:HITS-SIMPLAIX Joint Colloquium Volker Deringer: Machine-learning-driven advances in modelling and understanding disordered materials
DESCRIPTION:  \nBy Volker Deringer\, Department of Chemistry\, University of Oxford\, UK \nMachine learning (ML) based interatomic potential models are increasingly popular simulation tools for molecular and materials systems and hold promise for use on exascale supercomputers [1]. ML potentials are fitted to large sets of quantum-mechanical reference data\, and therefore developing high-quality datasets and automated training approaches is becoming an increasingly important re-search challenge. In this seminar\, I will highlight some recent developments in ML-driven molecular-dynamics simulations of structurally complex inorganic materials\, combining methodological aspects and practical applications. In regard to methods\, I will discuss the use of cheaply available “synthetic” data in pre-training atomistic ML models [2]\, which can improve accuracy and robustness of neural-network interatomic potentials compared to direct training on quantum-mechanical data [3]. Regarding applications\, I will showcase device-scale simulations of phase-change memory materials (which encode digital “ones” and “zeroes” in data-storage devices) [4]. Finally\, I will discuss perspectives for the development of both purpose-specific and generally applicable ML potentials for materials. \n[1] C. Chang et al.\, Nat. Rev. Mater. 8\, 309 (2023).\n[2] J. L. A. Gardner et al.\, Digital Discovery 2\, 651 (2023).\n[3] J. L. A. Gardner et al.\, arXiv:2307.15714 [physics.comp-ph].\n[4] Y. Zhou et al.\, Nat. Electron.\, DOI: 10.1038/s41928-023-01030-x (2023). \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate in person\, please register in advance at benedicta.frech@h-its.org.\nIf you would like to participate online\, please use the following link: https://kta-email.zoom.us/meeting/register/tJIqcuyrpzIoH9KZWyFkzZoddoPQdtZDml5j
URL:https://www.h-its.org/event/hits-simplaix-joint-colloquium-volker-deringer/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/jpeg:https://www.h-its.org/wp-content/uploads/2023/10/portrait_deringer.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20231016T140000
DTEND;TZID=Europe/Berlin:20231016T160000
DTSTAMP:20260503T164914
CREATED:20230901T083956Z
LAST-MODIFIED:20230901T083956Z
UID:70710-1697464800-1697472000@www.h-its.org
SUMMARY:FAIRDOM User Meeting
DESCRIPTION:The upcoming FAIRDOM user meeting will focus on presentations by FAIRDOM team members including: \n– Update about features under development (e.g. Samples in FAIRDOM-SEEK)\n– Presentation of the current roadmap\n– Discussion about future plans (e.g. integration of other tools) \nAll participants of the meeting are invited to contribute to the discussions and to ask us anything related to FAIRDOM-SEEK current developments and future plans. \nPlease register here to get the ZOOM access details.
URL:https://www.h-its.org/event/fairdom-user-meeting-4/
CATEGORIES:Workshops and Conferences
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20231012T140000
DTEND;TZID=Europe/Berlin:20231012T180000
DTSTAMP:20260503T164914
CREATED:20230511T133922Z
LAST-MODIFIED:20230816T141240Z
UID:68765-1697119200-1697133600@www.h-its.org
SUMMARY:9th SIMPLAIX internal project meeting\, Mathematikon Heidelberg
DESCRIPTION:The 9th SIMPLAIX internal project meeting will take place at the Mathematikon Heidelberg.
URL:https://www.h-its.org/event/9th-simplaix-internal-project-meeting-2/
ATTACH;FMTTYPE=image/png:https://www.h-its.org/wp-content/uploads/2021/12/SIMPLAIX_Profilbild.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230928T110000
DTEND;TZID=Europe/Berlin:20230928T120000
DTSTAMP:20260503T164914
CREATED:20230912T101728Z
LAST-MODIFIED:20230912T120219Z
UID:70589-1695898800-1695902400@www.h-its.org
SUMMARY:HITS-SIMPLAIX Joint Colloquium Fernanda Duarte: Exploring chemical reactivity in the age of automation and ML
DESCRIPTION:By Fernanda Duarte\, Department of Chemistry\, University of Oxford\, UK \n  \nEfficiently and accurately modelling chemical reactions in the condensed phase stands as one of the ‘grand challenges’ in computational chemistry. Although characterizing reaction energy pathways has become routine\, the exploration of intricate reaction mechanisms remains a time-consuming and non-systematic endeavour\, even for experienced computational chemists. To reduce technical barriers and enhance both efficiency and accuracy\, new developments in algorithms and computational methods are necessary. \nIn this talk\, I will present our team’s efforts to tackle these challenges through the integration of automation and machine learning\, demonstrating their potential for studying complex reaction mechanisms in the condensed phase. I will first describe our work on automating reaction pathways search through the use of our open-source software\, autodE\, which streamlines the characterisation of reaction pathways\, necessitating minimal user input and expertise and being compatible with several electronic structure theory packages.[1] I will illustrate the functionality and general applicability of autodE in a range of reaction classes\, including complex organic and metal-catalysed reactions\, and discuss current challenges in the field. \nMoving towards increasingly complex systems in the condensed phase\, such as large flexible molecules with explicit solvents\, I will present a comprehensive automated methodology for constructing machine learning potentials (MLPs).[2-4] MLPs have emerged as powerful surrogates for state-of-the-art ab initio methods\, providing access to accurate energy and forces at a significantly lower computational cost. Our approach combines the use of efficient MLP frameworks with automated active learning\, enabling the construction of data-efficient training sets across the relevant chemical and conformational space. I will discuss diverse examples to showcase the versatility of this approach and its transferability to a broad range of chemical systems\, including chemical reactions. \n  \nReferences \n\nA. Young\, J. J. Silcock\, A. J. Sterling\, F. Duarte. autodE: Automated Calculation of Reaction Energy Profiles— Application to Organic and Organometallic Reactions. Angew. Chem. Int. Ed. 2021\, 60\, 4266.\nA. Young\, T. Johnston-Wood\, V. Deringer\, F. Duarte. A Transferable Active-Learning Strategy for Reactive Molecular Force Fields. Chem. Sci.\, 2021\,12\, 10944.\nA. Young\, T. Johnston-Wood\, H. Zhang\, F. Duarte. Reaction dynamics of Diels-Alder reactions from machine learned potentials. Phys. Chem. Chem. Phys. 2022\, 24\, 20820.\nZhang\, V. Juraskova\, F. Duarte. Modeling Chemical Processes in Explicit Solvents with Machine Learning Potentials. ChemRxiv2023 Preprint.\n\n  \nShort CV: \nFernanda was born in Santiago\, Chile. She completed undergraduate and graduate studies at Pontificia Universidad Católica de Chile (PUC). Her PhD research focused on the formulation of theoretical frameworks for characterising chemical processes employing Density Functional Theory (DFT) and hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) approaches. \nAfter graduation\, she joined the Department of Cell and Molecular Biology at Uppsala University\, where she pursued training in biomolecular modelling. In 2015\, she moved to the University of Oxford with a Royal Society Newton Fellowship\, working in the area of computational organic chemistry. She then joined the School of Chemistry at Edinburgh with a Chancellor’s Fellowship before returning to Oxford in 2018 as Associate Professor in Chemistry. \nThroughout her career\, Fernanda has received various accolades\, including the L’Oreal-UNESCO Women in Science award (2009)\, Pre-doctoral Fulbright scholarship (2010)\, Marie Curie Career Grant (2015\, decline in lieu of the Newton Fellowship)\, MGMS Frank Blaney Award(2020)\, OpenEye Outstanding Junior Faculty Award (2021)\, Harrison-Meldola Memorial Prize (2021)\, and Novartis Early Career Award in Chemistry (2022). Her team develops computational methods to understand (bio)chemical reactivity and guide molecular design. \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate in person\, please register in advance at benedicta.frech@h-its.org.\nIf you would like to participate online\, please use the following link: https://kta-email.zoom.us/j/91974742258?pwd=K3U1TGFNWEJVaUhTODM5M3FZc0Vhdz09
URL:https://www.h-its.org/event/hits-simplaix-joint-colloquium-fernanda-duarte/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/jpeg:https://www.h-its.org/wp-content/uploads/2023/08/Foto_Fernanda.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230724T110000
DTEND;TZID=Europe/Berlin:20230724T120000
DTSTAMP:20260503T164914
CREATED:20230622T114938Z
LAST-MODIFIED:20260126T095600Z
UID:69543-1690196400-1690200000@www.h-its.org
SUMMARY:Colloquium Rafal Weron: Electricity price forecasting in the 2020s
DESCRIPTION:By Rafal Weron\, Wroclaw University of Science and Technology\, Poland \nAlthough electricity price forecasting aims at predicting both spot and forward prices\, the vast majority of research is focused on short-term horizons which exhibit dynamics unlike in any other market. The reason is that power system stability calls for a constant balance between production and consumption\, while being weather (both demand and supply) and business activity (demand only) dependent. The recent market innovations do not help in this respect. The rapid expansion of intermittent renewable energy sources is not offset by the costly increase of electricity storage capacities and modernization of the grid infrastructure.\nOn the methodological side\, this leads to three visible trends in electricity price forecasting research as of 2022. Firstly\, there is a slow\, but more noticeable with every year\, tendency to consider not only point but also probabilistic (interval\, density) or even path (also called ensemble) forecasts. Secondly\, there is a clear shift from the relatively parsimonious econometric (or statistical) models towards more complex and harder to comprehend\, but more versatile and eventually more accurate statistical/machine learning approaches. Thirdly\, statistical error measures are nowadays regarded as only the first evaluation step. Since they may not necessarily reflect the economic value of reducing prediction errors\, more and more often\, they are complemented by case studies comparing products from scheduling or trading strategies based on price forecasts obtained from different models. \n  \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate in person\, please register in advance at christina.blach@h-its.org.\nIf you would like to participate online\, please register in advance here.\n\n\n\nAfter registering\, you will receive a confirmation email containing information about joining the meeting.\n\n\nIn case you are not able to attend\, you can watch the talk afterwards on the HITS YouTube channel: https://www.youtube.com/user/TheHITSters.\n 
URL:https://www.h-its.org/event/colloquium-rafal-weron-2/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/jpeg:https://www.h-its.org/wp-content/uploads/2023/06/Foto_Weron-scaled.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230713T140000
DTEND;TZID=Europe/Berlin:20230713T180000
DTSTAMP:20260503T164914
CREATED:20230511T132409Z
LAST-MODIFIED:20230511T134623Z
UID:68761-1689256800-1689271200@www.h-its.org
SUMMARY:8th SIMPLAIX internal project meeting
DESCRIPTION:The 8th SIMPLAIX internal project meeting will take place at the Studio Villa Bosch.
URL:https://www.h-its.org/event/8th-simplaix-internal-project-meeting-2/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
ATTACH;FMTTYPE=image/png:https://www.h-its.org/wp-content/uploads/2021/12/SIMPLAIX_Profilbild.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230708T110000
DTEND;TZID=Europe/Berlin:20230708T130000
DTSTAMP:20260503T164914
CREATED:20230417T152741Z
LAST-MODIFIED:20230704T093130Z
UID:68046-1688814000-1688821200@www.h-its.org
SUMMARY:Math Colloquium and HITS Fellow Ceremony
DESCRIPTION:The “Math colloquium” is a special event in honor of former HITS group leader and alumna Anna Wienhard (Groups and Geometry group)\, who took up her new position as Director of the Max Planck Institute for Mathematics in the Sciences in November 2022. \nThe distinguished speakers at the colloquium are: \nSteve Trettel\, University of San Francisco\, California/USA\n“Geometry from the Inside”  \nRichard Schwartz\, Brown University\, Rhode Island/USA\n“Divide and Conquer:  5 Point Energy Minimization” \n \nAfter the talks and discussion\,  Anna Wienhard will be awarded HITS Fellow by HITS Scientific Director Tilmann Gneiting. \nA shuttle service will run between S-Bahnhof Altstadt and HITS\, departure times are: \n10:15 from S-Bahnhof Altstadt to HITS\n13:30 from HITS to S-Bahnhof Altstadt \nThe shuttle will leave from the same bus stop as the Science Bus. \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate in person\, please register in advance at benedicta.frech@h-its.org.\nIf you would like to participate online\, please register in advance here: https://kta-email.zoom.us/meeting/register/tJwtcemrrD0jHdF6YQLeMHVPUpUIGcLAf8O-\n\n\n\nAfter registering\, you will receive a confirmation email containing information about joining the meeting.\n\n\nIn case you are not able to attend\, you can watch the talk afterwards on the HITS YouTube channel: https://www.youtube.com/user/TheHITSters.
URL:https://www.h-its.org/event/math-colloquium/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/png:https://www.h-its.org/wp-content/uploads/2023/04/alumni_banner_webseite_2023.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230705T190000
DTEND;TZID=Europe/Berlin:20230705T203000
DTSTAMP:20260503T164914
CREATED:20230607T073134Z
LAST-MODIFIED:20230616T100301Z
UID:69218-1688583600-1688589000@www.h-its.org
SUMMARY:ChatGPT and its ilk
DESCRIPTION:Public Talk by Anil Ananthaswamy\, HITS Journalist in Residence 2023\nin collaboration with the Heidelberg Laureate Forum Foundation \nThere are anecdotal reports of cab drivers asking their passengers: “Have you heard of ChatGPT?” This cultural phenomenon is indicative of an inflection point in the development of a form of artificial intelligence (AI) called the large language model (LLM). ChatGPT is one such AI. \nIn this talk\, Anil Ananthaswamy will explain the conceptual underpinnings of LLMs\, how they are trained\, and curious emergent properties they are beginning to display\, such as being able to solve math problems\, even though they weren’t specifically trained to do so. But are these LLMs actually capable of reasoning or are they simply doing some extremely sophisticated pattern matching? \nThe talk will also highlight the dangers of large language models\, as they are currently designed\, and why it’s important for society to become aware of the promises and perils of such AIs\, as the technology has reached a point of no return. \nModeration: Jan Stühmer\, Machine Learning and Articifial Intelligence group\, HITS \nThe event is on-site and will take place in the “MAINS” (Mathematik-Informatik-Station)\, right in the center of Heidelberg\, close to the main station. It is organized in collaboration with the Heidelberg Laureate Forum Foundation (HLFF)\, the organizing institution of the Heidelberg Laureate Forum that celebrates its 10th anniversary in 2023. \n  \nAnil Ananthaswamy is currently “HITS Journalist in Residence” at the Heidelberg Institute for Theoretical Studies (HITS). He is an award-winning science journalist and former staff writer and deputy news editor at New Scientist magazine. As a freelance journalist\, he writes for Quanta\, Scientific American\, New Scientist and Nature\, among others. He’s the author of three popular science books\, a former guest editor at the University of California\, Santa Cruz’s science writing program\, and he teaches science journalism at the National Centre for Biological Sciences\, Bangalore\, India. Before he switched to science writing\, Anil had trained as an electronics and computer engineer at the Indian Institute of Technology\, Madras (BSEE) and the University of Washington\, Seattle (MSEE)\, and was working as a software engineer in Silicon Valley.
URL:https://www.h-its.org/event/chatgpt-and-its-ilk/
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/jpeg:https://www.h-its.org/wp-content/uploads/2023/05/Anil_DSC00680.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230621T130000
DTEND;TZID=Europe/Berlin:20230623T170000
DTSTAMP:20260503T164914
CREATED:20230515T072619Z
LAST-MODIFIED:20230620T065409Z
UID:68823-1687352400-1687539600@www.h-its.org
SUMMARY:2nd HBPMolSim Training Workshop on Tools for Molecular Simulation of Neuronal Signaling Cascades and HBP BRAVE partner project open meeting
DESCRIPTION:The second HBPMolSIM training workshop on Tools for Molecular Simulation of Neuronal Signaling Cascades will take place in hybrid format on 21-23 June 2023 at the Mathematikon\, Heidelberg University (free of charge). The workshop will include training on the SDA7 and tauRAMD tools developed in the MCM group at HITS\, focusing on the computation of kinetic parameters from Brownian dynamics simulations of biomolecular association and molecular dynamics simulations of protein-ligand dissociation. \nAt the end of the training workshop\, the results of the  HBP BRAVE Partner project will be presented in an open workshop. The BRAVE project addresses the problem of COVID-19’s impact on the brain by tackling COVID-19 brain inflammation by computer-aided molecular design. The aim of the project is to block SARS-CoV-2 mediated neurodegeneration and brain damage by inhibiting the activation of the NLRP3 inflammasome\, which is responsible for neuroinflammation in several neurodegenerative conditions such as Alzheimer’s disease and long COVID-19.  The project is a collaboration between scientists at the universities of Turin and Pavia (Italy) and the Forschungszentrum Jülich and HITS (Germany). \nFor details and registration for either on-site or online attendance\, see: https://flagship.kip.uni-heidelberg.de/jss/HBPm?m=SgD&mI=253 Registration is open until 9 June 2023! \nScientific chairs and organizer(s)\nRebecca Wade | HITS\, Germany\nGiulia D’Arrigo | HITS\, Germany\nStefan Richter | HITS\, Germany \nEvent flyer:\nHBPworkshop2023_flyer
URL:https://www.h-its.org/event/2nd-hbpmolsim-ws/
LOCATION:Mathematikon Heidelberg University\, Im Neuenheimer Feld 205\, Heidelberg\, 69120\, Germany
CATEGORIES:Workshops and Conferences
ATTACH;FMTTYPE=image/png:https://www.h-its.org/wp-content/uploads/2022/01/HBPMolSim.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230613T110000
DTEND;TZID=Europe/Berlin:20230613T120000
DTSTAMP:20260503T164914
CREATED:20230515T114502Z
LAST-MODIFIED:20230605T093414Z
UID:68829-1686654000-1686657600@www.h-its.org
SUMMARY:Colloquium Olexandr Isayev: Accelerating Design of Organic Materials with Machine Learning and AI
DESCRIPTION:  \nBy Olexandr Isayev\, Carnegie Mellon University\, Department of Chemistry\, Pittsburgh\, Pennsylvania\, USA \nDeep learning is revolutionizing many areas of science and technology\, particularly in natural language processing\, speech recognition\, and computer vision. In this talk\, we will provide an overview of the latest developments of machine learning and AI methods and their application to the problem of molecular discovery and rational design at Isayev’s Lab at CMU. We identify several areas where existing methods have the potential to accelerate materials research and disrupt more traditional approaches. First\, we will present a deep learning model that approximates the solution of the Schrodinger equation. We introduce the AIMNet-NSE (Neural Spin Equilibration) architecture\, which can predict molecular energies for an arbitrary combination of molecular charge and spin multiplicity. The AIMNet-NSE model allows us to bypass QM calculations fully and derive the ionization potential\, electron affinity\, and conceptual Density Functional Theory quantities like electronegativity\, hardness\, and condensed Fukui functions. We show that these descriptors and learned atomic representations could be used to model chemical reactivity through an example of regioselectivity in electrophilic aromatic substitution reactions. Second\, we proposed a novel ML-guided materials discovery platform that combines synergistic innovations in automated flow synthesis and automated machine learning (AutoML) method development. A software-controlled\, continuous polymer synthesis platform enables rapid iterative experimental–computational cycles that result in the synthesis of hundreds of unique copolymer compositions within a multi-variable compositional space. The non-intuitive design criteria identified by ML\, accomplished by exploring less than 0.9% of overall compositional space\, upended conventional wisdom in the design of 19F MRI agents and led to the identification of >10 copolymer compositions that outperformed state-of-the-art materials. \n  \nShort CV: \nOlexandr Isayev is an Associate Professor in the Department of Chemistry at Carnegie Mellon University. In 2008\, Olexandr received his Ph.D. in computational chemistry. He was Postdoctoral Research Fellow at the Case Western Reserve University and a scientist at the government research lab. During 2016-2019 he was a faculty at UNC Eshelman School of Pharmacy\, the University of North Carolina at Chapel Hill. Olexandr received the “Emerging Technology Award” from the American Chemical Society (ACS) and the GPU computing award from NVIDIA. The research in his lab focuses on connecting artificial intelligence (AI) with chemical sciences. \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate in person\, please register in advance at benedicta.frech@h-its.org.\nIf you would like to participate online\, please register in advance here: https://kta-email.zoom.us/meeting/register/tJMudeGqqTgqE9AKlyirJF9Cv0xXYH0EGSTV.\nAfter registering\, you will receive a confirmation email containing information about joining the meeting.\n\n\nIn case you are not able to attend\, you can watch the talk afterwards on the HITS YouTube channel: https://www.youtube.com/user/TheHITSters.\n 
URL:https://www.h-its.org/event/colloquium-olexandr-isayev/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/jpeg:https://www.h-its.org/wp-content/uploads/2023/05/Foto_Isayev-scaled.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230522T110000
DTEND;TZID=Europe/Berlin:20230522T120000
DTSTAMP:20260503T164914
CREATED:20230510T084612Z
LAST-MODIFIED:20230510T095450Z
UID:68529-1684753200-1684756800@www.h-its.org
SUMMARY:Colloquium Norman Schumann: Media in the Climate Crisis - How German Media Manage Humanity´s Greatest Communication Challenge
DESCRIPTION:  \nBy Norman Schumann\, Klima vor acht e.V. \nIt’s hard to imagine that the world is coming to an end\, and nobody’s talking about it. Unfortunately\, this happens every day in the German media\, or\, to put it differently\, the issue is not being addressed. After more than thirty years since the establishment of the IPCC\, we now know for certain that climate change is caused by human activities\, and we have the power to do something about it. However\, the German media has not been giving enough attention to this critical issue\, making global warming the most significant communication challenge faced by humankind too. \nDuring our presentation\, we will take a journey through the German media\, especially public broadcasting. We will analyze quantitative data to understand how the media reports on climate change and highlight common incorrect narratives. Additionally\, we will give a brief introduction to the work of the initiative “KLIMA° vor acht“. The initiative aims to increase the coverage of “climate” topics in the German television landscape and has already achieved some notable successes in this regard. \n  \nShort CV: \nDr. Norman Schumann studied mathematics and philosophy at the Ruhr University in Bochum and at John Hopkins University in Baltimore. He has been involved in various areas of the climate movement for some time and is co-founder and spokesman of KLIMA vor Acht e.V. \nHe works as a data scientist and data manager in the energy sector. Since 2022\, he has also been working as a freelancer at Hamburg University\, Chair of Communication Science\, especially Climate and Science Communication. \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate in person\, please register in advance at benedicta.frech@h-its.org.\nIf you would like to participate online\, please register in advance here: https://kta-email.zoom.us/meeting/register/tJMvc-uupjgtEtBN-g6ZPSrD9jEhggG_ieFK\n\n\n\nAfter registering\, you will receive a confirmation email containing information about joining the meeting.\n\n\nIn case you are not able to attend\, you can watch the talk afterwards on the HITS YouTube channel: https://www.youtube.com/user/TheHITSters.
URL:https://www.h-its.org/event/colloquium-norman-schumann/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/jpeg:https://www.h-its.org/wp-content/uploads/2023/05/Norman_Schumann-scaled.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230511T110000
DTEND;TZID=Europe/Berlin:20230511T120000
DTSTAMP:20260503T164914
CREATED:20230426T112652Z
LAST-MODIFIED:20230426T115457Z
UID:68345-1683802800-1683806400@www.h-its.org
SUMMARY:Colloquium Philipp Podsiadlowski: How Stars End Their Lives
DESCRIPTION:By Philipp Podsiadlowski\, Stellar Astrophysics\, University of Oxford\, UK \n  \nWhile the basic evolution of stars has been understood for many decades\, there are still major uncertainties in our theoretical understanding of how stars end their lives\, both in the context of low- and intermediate-mass stars (including the Sun) and massive stars. After reviewing some of key principles that govern the structure and evolution of stars\, I will present recent progress that has been made for both groups of stars. I will argue and present numerical simulations that show that all stars become dynamically unstable when they become very large giants\, which leads to sporadic\, dynamical mass ejections. Low- and intermediate-mass stars may lose all of their envelopes as a consequence\, leaving white-dwarf remnants. More massive stars experience core collapse\, leaving a neutron-star or black-hole remnant\, possibly associated with a supernova explosion. I will show how the dramatic recent progress on understanding the core-collapse process\, for the first time\, allows us to connect the late evolution of massive stars with the resulting supernova explosions and the final remnants and discuss how observations with current gravitational-wave detectors (such as LIGO) will allow us to test this theoretical connection. \n  \nShort CV: \nPhilipp grew up in Germany\, but left Germany after three years of study at the Technical University of Munich to start a PhD at the Massachusetts Institute of Technology in Cambridge (USA). After graduating there in 1989\, writing a thesis on “Binary Models for Supernova 1987A”\, he moved to Cambridge (UK) for 5 years\, first as a SERC Fellow and later as a Royal Society Research Associate of Martin Rees. After a year as a Royal Society Exchange Fellow at the Max-Planck-Institute for Astronomy in Munich\, he became a SERC Advanced Fellow and University Lecturer at the University of Oxford in 1996\, becoming Full Professor in 2006. In 2015\, he was awarded a Humboldt Research Prize by the Humboldt Society in Germany\, which has helped him to establish a close scientific link with the University of Bonn. In 2020 he gave up his university position to become an independent scientist. Philipp is an expert on the theory of single and binary stars\, in particular with applications to compact binary systems\, the progenitors of different supernova types\, and most recently to understanding the origin of the gravitational-wave sources discovered by the Advanced LIGO detector since 2016. In recent years\, Philipp has been a regular visitor to HITS\, working with the groups of Fritz Röpke and Fabian Schneider. He is currently the Klaus Tschira Guest Professor at HITS. \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate in person\, please register in advance at benedicta.frech@h-its.org.\nIf you would like to participate online\, please register in advance here: https://kta-email.zoom.us/meeting/register/tJItc-uqrjIpE9dB4Feg7847E8jt3ITFr_VY\n\n\n\nAfter registering\, you will receive a confirmation email containing information about joining the meeting.\n\n\nIn case you are not able to attend\, you can watch the talk afterwards on the HITS YouTube channel: https://www.youtube.com/user/TheHITSters.
URL:https://www.h-its.org/event/colloquium-philipp-podsiadlowski/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/jpeg:https://www.h-its.org/wp-content/uploads/2023/04/Foto-Philipp.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230508T140000
DTEND;TZID=Europe/Berlin:20230508T160000
DTSTAMP:20260503T164914
CREATED:20230420T123702Z
LAST-MODIFIED:20230505T095443Z
UID:68278-1683554400-1683561600@www.h-its.org
SUMMARY:FAIRDOM User Meeting
DESCRIPTION:The purpose of the FAIRDOM user meetings is to establish an active FAIRDOM user community to allow networking between various FAIRDOM-SEEK users and learn from each other’s experiences. Within the two-hours event invited users will showcase the use of FAIRDOMHub and other FAIRDOM-SEEK instances for their research projects. After the presentations we’ll have plenty of time for discussions and networking. \nAgenda: \n\n14:00 – Welcome\n14:10 – Ulrich Sax (University Medical Center Göttingen\, Germany)  “A translational use case for SEEK in current cancer research”\n14:30 – Dagmar Waltemath (University Medicine Greifswald\, Germany) “Managing computational models in biology and medicine: Experiences from running FAIRDOMHubs in the COMBINE and Medical Informatics communities”\n14:50 – Jacky Snoep (Stellenbosch University\, South Africa) “Running reproducible modelling projects on the FAIRDOMHub: from model construction to publication”\n15:10 – Discussion\n\n  \nPlease register for free to get the Zoom access details.
URL:https://www.h-its.org/event/fairdom-user-meeting-3/
LOCATION:Online
CATEGORIES:Workshops and Conferences
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230502T120000
DTEND;TZID=Europe/Berlin:20230504T170000
DTSTAMP:20260503T164914
CREATED:20221221T132707Z
LAST-MODIFIED:20230511T135455Z
UID:66131-1683028800-1683219600@www.h-its.org
SUMMARY:SIMPLAIX Workshop on "Machine Learning for Multiscale Molecular Modeling"
DESCRIPTION:The Workshop on “Machine Learning for Multiscale Molecular Modeling” took place on 2-4 May 2023. \nFor further information\, see the workshop website : https://simplaix-workshop2023.h-its.org/
URL:https://www.h-its.org/event/simplaix-workshop-machine-learning/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Workshops and Conferences
ATTACH;FMTTYPE=image/png:https://www.h-its.org/wp-content/uploads/2022/04/SIMPLAIX_logo_colorcoded_3institutes_format.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230428T140000
DTEND;TZID=Europe/Berlin:20230428T150000
DTSTAMP:20260503T164914
CREATED:20230405T113237Z
LAST-MODIFIED:20230421T112455Z
UID:67910-1682690400-1682694000@www.h-its.org
SUMMARY:HITS-IMK Joint Colloquium Adrian Raftery: Downscaled Probabilistic Climate Change Projections\, with Application to Hot Days
DESCRIPTION:By Adrian E. Raftery\, Department of Statistics\, University of Washington\, Seattle\, USA \nThis colloquium is organized jointly with the Institute of Meteorology and Climate Research (IMK)\, Karlsruhe Institute of Technology (KIT). \n  \nThe climate change projections of the Intergovernmental Panel on Climate Change are based on scenarios for future emissions\, but these are not statistically based and do not have a full probabilistic interpretation. Instead\, Raftery et al. (2017) and Liu and Raftery (2021) developed probabilistic forecasts for global average temperature change to 2100. I will describe a method for downscaling these to yield for probabilistic long-term spatial forecasts of local average annual temperature change\, combining the probabilistic global method with a pattern scaling approach. This yields a probability distribution for average temperature in any year and any place in the future. Finally\, we ask\, how common dangerously hot days are likely to be at any location by the end of the century\, and develop a method for assessing its predictive distribution. We find\, for example\, that exposure to dangerous heat levels is likely to increase by factors of 3-10 in many parts of the midlatitudes. This is joint work with Xin Chen\, Peiran Liu\, Lucas Zeppetello and David Battisti. \n  \nShort and long CVs can be found here \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate in person\, please register in advance at benedicta.frech@h-its.org.\nIf you would like to participate online\, please register in advance here: https://kta-email.zoom.us/meeting/register/tJEuceqqrzwrHNF-Bm9dRm-ysB7oyk0n8ckK.\n\n\n\nAfter registering\, you will receive a confirmation email containing information about joining the meeting.
URL:https://www.h-its.org/event/hits-imk-joint-colloquium/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/jpeg:https://www.h-its.org/wp-content/uploads/2023/04/Foto_Raftery-scaled.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230424T110000
DTEND;TZID=Europe/Berlin:20230424T120000
DTSTAMP:20260503T164914
CREATED:20230215T122952Z
LAST-MODIFIED:20230215T122952Z
UID:66745-1682334000-1682337600@www.h-its.org
SUMMARY:Colloquium Jürgen Knödlseder: The carbon footprint of astronomical research infrastructures
DESCRIPTION:By Jürgen Knödlseder\, IRAP\, GAHEC\, Toulouse\, France \n  \nThe carbon footprint of astronomical research is an increasingly topical issue with first estimates of research institute and national community footprints having recently been published. As these assessments generally do not take into account the contribution of astronomical research infrastructures\, we propose to complement them by providing an estimate of the contribution of astronomical space missions and ground-based observatories using greenhouse gas emission factors that relate cost and payload mass to carbon footprint. We find that use of astronomical research infrastructures dominates the carbon footprint of an average astronomer. Comparison of our findings with the socio-economic pathways that are compliant with keeping the global average temperature rise below levels of 1.5°C or 2°C suggests that drastic changes are needed on how astronomical research is conducted in the future. Specifically\, continuous deployment of ever more and larger astronomical research infrastructures is clearly not sustainable. We argue that a new narrative for doing astronomical research is needed if we want to keep our planet habitable. \n  \nShort CV: \nDr. Jürgen Knödlseder graduated at the Technical University of Munich and the Max-Planck Institute for extraterrestrial physics (MPE) in Garching\, Germany. He then moved to the Institute of Astrophysics (IAP) in Paris and subsequently to the Institute for Astrophysics and Planetology (IRAP) in Toulouse\, France where he became in 2001 a staff scientist of the National Centre for Scientific Research (CNRS). He is working on instrumentation and observations in the field of gamma-ray astronomy\, initially using the COMPTEL telescope aboard the CGRO satellite and the SPI telescope aboard the INTEGRAL satellite on the topics of nucleosynthesis and antimatter. More recently he focused on the topic of cosmic rays\, working on observations of the Fermi satellite and on the development of the Cherenkov Telescope Array (CTA). He is member of the astrophysics advisory board of the French Space Agency CNES\, and he was chairing for nine years the Consortium Board of CTA. Since 2022 he is head of the office for environmental footprint reduction of the CTA Observatory. \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate in person\, please register in advance at benedicta.frech@h-its.org.\nIf you would like to participate online\, please register in advance here: https://kta-email.zoom.us/meeting/register/tJUqcOGurzooEtd5_WvsY3GGpIxSa1vG4e3U.\n\n\n\nAfter registering\, you will receive a confirmation email containing information about joining the meeting.\n\n\nIn case you are not able to attend\, you can watch the talk afterwards on the HITS YouTube channel: https://www.youtube.com/user/TheHITSters.
URL:https://www.h-its.org/event/jurgen-knodlseder/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/jpeg:https://www.h-its.org/wp-content/uploads/2023/01/Foto_Knodlseder.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230327T140000
DTEND;TZID=Europe/Berlin:20230327T150000
DTSTAMP:20260503T164914
CREATED:20230215T121932Z
LAST-MODIFIED:20230215T121932Z
UID:67017-1679925600-1679929200@www.h-its.org
SUMMARY:Colloquium Victor M. Panaretos: Sums of Squares from Pythagoras to Hilbert via Fisher
DESCRIPTION:By Victor M. Panaretos\, Institute of Mathematics\, EPFL\, Switzerland \nFor one hundred years\, the analysis of variance has been at the core of statistical inference. Though Fisher first distilled the notion circa 1920\, its roots go much deeper in time\, and ultimately lie in some of the most elemental concepts of geometry. This\, in turn\, lends it considerable versatility as statisticians grapple with data that are increasingly complex in their mathematical description. I will try to illustrate that\, particularly when the data are infinite dimensional\, the analysis of variance can help statisticians elicit order out of chaos\, apparently promising to remain at the core of statistics for another hundred years. \n  \nShort CV: \nVictor M. Panaretos is Professor of Mathematical Statistics and Director of the Mathematics Institute at the EPFL. He received his PhD in 2007 from UC Berkeley\, advised by David Brillinger. Upon graduation he was appointed as Assistant Professor at the EPFL\, where he rose the ranks to Full Professor. He received the Erich Lehmann Award for an Outstanding PhD (UC Berkeley\, 2007)\, an ERC Starting Grant Award (2011) and was named “One of 40 extraordinary scientists under 40” by the World Economic Forum (2014). He is an Elected Member of the ISI (2008) and a Fellow of the IMS (2019). He was the Bernoulli Society Forum Lecturer in the 2019 EMS\, and will be a plenary speaker at the XVI Latin American Congress in Probability and Mathematical Statistic (CLAPEM). He is an Associate Editor for Biometrika\, and the Journal of the American Statistical Association (Theory and Methods)\, and previously for the Annals of Statistics\, Annals of Applied Statistics\, and Electronic Journal of Statistics. He has served the discipline from various posts\, most notably currently being President-Elect of the Bernoulli Society. \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate in person\, please register in advance at benedicta.frech@h-its.org.\nIf you would like to participate online\, please register in advance here: https://kta-email.zoom.us/meeting/register/tJYvcuytrjMpG9AiPDXORfnJ2HpaGx-d3vmv.\n\n\n\nAfter registering\, you will receive a confirmation email containing information about joining the meeting.\n\n\nIn case you are not able to attend\, you can watch the talk afterwards on the HITS YouTube channel: https://www.youtube.com/user/TheHITSters.
URL:https://www.h-its.org/event/colloquium-victor-m-panaretos/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/jpeg:https://www.h-its.org/wp-content/uploads/2023/02/Foto_Panaretos.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230309T140000
DTEND;TZID=Europe/Berlin:20230309T180000
DTSTAMP:20260503T164914
CREATED:20230227T163707Z
LAST-MODIFIED:20230307T102056Z
UID:67305-1678370400-1678384800@www.h-its.org
SUMMARY:7th SIMPLAIX internal project meeting at KIT Karlsruhe
DESCRIPTION:The 7th SIMPLAIX internal project meeting will take place at the Karlsruhe Institute of Technology.
URL:https://www.h-its.org/event/7th-simplaix-internal-project-meeting-at-kit-karlsruhe/
ATTACH;FMTTYPE=image/png:https://www.h-its.org/wp-content/uploads/2021/12/SIMPLAIX_Profilbild.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230227T110000
DTEND;TZID=Europe/Berlin:20230227T120000
DTSTAMP:20260503T164914
CREATED:20230125T091105Z
LAST-MODIFIED:20230213T162506Z
UID:66601-1677495600-1677499200@www.h-its.org
SUMMARY:Colloquium Shimei Pan: Bias and Fairness in AI
DESCRIPTION:By Shimei Pan\, Information Systems Department of UMBC\, Baltimore\, USA \nThe emergence of advanced AI technologies\, such as Deep Learning and ChatGPT has the potential to revolutionize the way we work\, live\, and interact with each other\, potentially bringing a profound transformation of our society. Thus\, it is imperative that we ensure the responsible development and equitable use of these technologies. Unfortunately\, it has been found recently that numerous AI systems exhibit prejudice against certain groups of people\, including women and people of color.  There is an increasing concern that vulnerable groups in our society could be harmed by biased AI systems. \nIn this talk\, I will present some of our recent work on bias and fairness in AI such as fairness definitions/assessment and bias mitigation.  As AI fairness is not a purely technical construct\, having social implications\, I will also present our work on human-fair AI interaction to demonstrate that an algorithmic solution itself is often insufficient to achieve its intended societal goals. \n  \nShort CV: \nDr. Shimei Pan is an Associate Professor in the Information Systems Department and the director of the text mining and social media analytics lab at University of Maryland\, Baltimore County. Previously\, she was a research scientist at IBM Watson Research Center in New York. Her research focuses on Natural Language Processing (NLP)\, fair AI\, and Human-AI Interaction.  Her current Fulbright Award in Germany is on cross-cultural analysis of social biases with large pre-trained language models. Dr. Pan received a Ph.D. in Computer Science from Columbia University. \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate in person\, please register in advance at benedicta.frech@h-its.org.\nIf you would like to participate online\, please register in advance here: https://kta-email.zoom.us/meeting/register/tJEldOCrqDssE9UtTNjzWOSpZh6dEb3EZelh\n\n\n\nAfter registering\, you will receive a confirmation email containing information about joining the meeting.\n\n\nIn case you are not able to attend\, you can watch the talk afterwards on the HITS YouTube channel: https://www.youtube.com/user/TheHITSters.
URL:https://www.h-its.org/event/colloquium-shimei-pan/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/jpeg:https://www.h-its.org/wp-content/uploads/2023/01/Foto_shimei.jpeg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20230123T110000
DTEND;TZID=Europe/Berlin:20230123T120000
DTSTAMP:20260503T164914
CREATED:20230111T130228Z
LAST-MODIFIED:20230116T123339Z
UID:66359-1674471600-1674475200@www.h-its.org
SUMMARY:Colloquium Peter Smillie: Counting fullerenes with modular forms — an application of number theory to carbon chemistry
DESCRIPTION:By Peter Smillie\, Mathematical Institute\, Heidelberg University \nFullerenes are polyhedral molecules made of carbon atoms\, first discovered in 1985. A few isomers are naturally occurring and many more have since been synthesised\, with numerous applications across materials science\, biology\, and medicine. One source of theoretical interest in fullerenes is that there are a lot of them; it is well known that if n is large\, you can synthesise about n^9 (n to the 9th power) distinct isomers with exactly n carbon atoms. \nAs I will explain\, the set of all isomers has a beautiful mathematical structure\, corresponding to certain integral points in 18 dimensional space. A fundamental problem is to predict the chemical properties of an isomer from this mathematical description. This is the goal of a joint project with Ganna Gryn’ova at HITS. \nI will present a surprising result\, joint with Philip Engel\, that there exists an exact formula for the number of distinct isomers with n atoms using modular forms\, which are certain sequences with deep connections to the prime numbers. We are still working out the details\, but this should reproduce tables that mathematical chemists have computed up to n= 300 or so\, and let us calculate essentially instantaneously the number of isomers for any n. \n  \nShort CV: \nPeter Smillie is a “Geometry Plus” Junior Professor at the University of Heidelberg. His primary research is in differential geometry\, especially the study of minimal surfaces in symmetric spaces and moduli spaces of geometric structures. It was his work on the moduli space of polyhedra that led to his discovery with P. Engel in 2017 of the connection between polyhedra and modular forms. In ongoing joint work with F. \nBonsante and A. Seppi\, he is developing new tools to study the asymptotic behavior of special surfaces in spacetime. In 2022\, together with N. Sagman\, he found a counterexample to the well-known Labourie conjecture in higher Teichmüller theory. He received his Ph.D. in mathematics from Harvard in 2018\, and held post-doctoral positions at the IHES in Paris and at Caltech\, before starting at Heidelberg in 2022. \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate in person\, please register in advance at benedicta.frech@h-its.org.\nIf you would like to participate online\, please register in advance here: https://kta-email.zoom.us/meeting/register/tJYqf-Ctrz0vHNcjyGBh6Px8jdpz8HulIYJx.\n\n\n\nAfter registering\, you will receive a confirmation email containing information about joining the meeting.\n\n\nIn case you are not able to attend\, you can watch the talk afterwards on the HITS YouTube channel: https://www.youtube.com/user/TheHITSters.
URL:https://www.h-its.org/event/colloquium-peter-smillie/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/jpeg:https://www.h-its.org/wp-content/uploads/2023/01/Foto_Smillie.jpg
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20221208T140000
DTEND;TZID=Europe/Berlin:20221208T180000
DTSTAMP:20260503T164914
CREATED:20221031T133123Z
LAST-MODIFIED:20221102T154621Z
UID:65222-1670508000-1670522400@www.h-its.org
SUMMARY:6th SIMPLAIX internal project meeting at Mathematikon\, Heidelberg
DESCRIPTION:The 6th SIMPLAIX internal project meeting will take place at the Mathematikon Heidelberg.
URL:https://www.h-its.org/event/6th-simplaix-internal-project-meeting-at-mathematikon-heidelberg/
LOCATION:Mathematikon Heidelberg University\, Im Neuenheimer Feld 205\, Heidelberg\, 69120\, Germany
ATTACH;FMTTYPE=image/png:https://www.h-its.org/wp-content/uploads/2022/10/SIMPLAIX_simple.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20221121T110000
DTEND;TZID=Europe/Berlin:20221121T120000
DTSTAMP:20260503T164914
CREATED:20221027T120742Z
LAST-MODIFIED:20221103T121556Z
UID:65159-1669028400-1669032000@www.h-its.org
SUMMARY:HITS-SIMPLAIX joint colloquium Michele Ceriotti: Atomic-scale modeling in the age of machine learning
DESCRIPTION:By Michele Ceriotti\, EPFL STI SMX-GE\, Lausanne\, Switzerland \nWhen modeling materials and molecules at the atomic scale\, achieving a realistic level of complexity and making quantitative predictions are usually conflicting goals.\nData-driven techniques have made great strides towards enabling simulations of materials in realistic conditions with uncompromising accuracy.\nIn this talk I will summarize the core concepts that have driven the extraordinarily fast progress of the field\, discussing the relationship to more general concepts in geometric machine learning.\nI will describe some of the most promising modeling techniques that combine physics-inspired and data-driven paradigms\, indicate the most pressing open challenges\, and present several compelling examples ranging from water to semiconductors and from metals to molecular materials. \n  \nShort CV: \nMichele Ceriotti received his Ph.D. in Physics from ETH Zürich. He spent three years in Oxford as a Junior Research Fellow at Merton College. Since 2013 he leads the laboratory for Computational Science and Modeling\, in the institute of Materials at EPFL\, that focuses on method development for atomistic materials modeling based on statistical mechanics and machine learning. He is one of the core developers of several open-source software packages\, including http://ipi-code.org and http://chemiscope.org\, and proudly serves the atomistic modeling community as an associate editor of the Journal of Chemical Physics\, as a moderator of the physics.chem-ph section of the arXiv\, and as an editorial board member of Physical Review Materials. \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate in person\, please register in advance at benedicta.frech@h-its.org.\nIf you would like to participate online\, please register in advance here:\nhttps://kta-email.zoom.us/meeting/register/tJElcu6sqDktHdDUmD6C08q__YImcdMaYdAE\n\nAfter registering\, you will receive a confirmation email containing information about joining the meeting.\n\n\n\n\n\n\nIn case you are not able to attend\, you can watch the talk afterwards on the HITS YouTube channel: https://www.youtube.com/user/TheHITSters.
URL:https://www.h-its.org/event/hits-simplaix-joint-colloquium-michele-ceriotti/
LOCATION:Studio Villa Bosch\, Schloss-Wolfsbrunnenweg 33\, Heidelberg\, 69118\, Germany
CATEGORIES:Colloquia,Public Events
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BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20221024T110000
DTEND;TZID=Europe/Berlin:20221024T120000
DTSTAMP:20260503T164914
CREATED:20220926T102613Z
LAST-MODIFIED:20220926T102956Z
UID:64462-1666609200-1666612800@www.h-its.org
SUMMARY:Colloquium David Dao: Gainforest: Using artificial intelligence to help restore the natural world
DESCRIPTION:By David Dao\, GainForest/PhD candidate ETH Zurich\, Switzerland \nNature has been deteriorating at rates unparalleled in human history and the implications are global. Climate change and biodiversity loss are two bullets in the same gun. Perils we face in parallel\, both driven by deforestation and land use change. If global tropical deforestation were a country\, its resulting emissions would be larger than the whole of the European Union. Time is running out and we need urgent climate and environmental action.\nUnfortunately\, we cannot value what we cannot measure. And we are failing to capture nature’s full contributions to society. In this talk\, we argue that machine learning (ML) can play a significant role in responding to this critical call for action – but only when we develop ML algorithms in co-design with local and Indigenous communities – by empowering digital monitoring\, reporting and verification and conservation projects. \nWe will present our work at Gainforest\, a global science-based non-profit and currently a semi-finalist of the $10M XPRIZE Rainforest\, and how Gainforest is deploying affordable top-down and bottom-up monitoring solutions on the ground in partnership with the government of Paraguay and conservation partners in the Global South. Lastly\, we will discuss how increased transparency and decentralized science for nature can enable novel financial schemes to tackle global deforestation. \n  \nShort CV: \nDavid Dao (he/him) is the founder of GainForest and an Artificial Intelligence (AI) researcher at ETH Zurich. GainForest is a non-profit grantee of Microsoft’s AI for Earth program and Filecoin Green\, and a $10M XPRIZE Rainforest Semi-Finalist to prevent deforestation. In co-design with local communities in South America and Southeast Asia\, GainForest develops a global assessment protocol that rewards sustainable nature stewardship and has been featured by BBC Radio4\, World Economic Forum\, Microsoft\, Handelsblatt\, Boston Consulting Group\, and the United Nations. At ETH Zurich\, David founded the Climate + AI initiative at DS3Lab and maintains Github’s most starred collection on ethical use of AI (“Awful AI”). In close collaboration with the World Wildlife Fund (WWF)\, MIT\, and Restor they develop satellite-based monitoring algorithms to assess biodiversity. Additionally\, he leads the joint Kara Data Marketplace initiative with Stanford\, UC Berkeley\, and Oasis Labs. David’s research won best papers and several academic grants. Previously\, he was an engineer in Silicon Valley and a research fellow at Berkeley AI Research (BAIR)\, Stanford University\, and Broad Institute of MIT and Harvard. David is a Global Shaper at World Economic Forum\, the Forest Lead of Climate Change AI\, a Climate Leader at Climate Reality Project\, a UN youth delegate for UN since COP23\, an advisor to the UNFCCC Resilience Frontiers and Paraguay’s official COP delegation\, and a mentor at Creative Destruction Lab Paris. In his spare time\, David explores tropical rainforests in South America and the deep sea of Southeast Asia. \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate in person\, please register in advance at benedicta.frech@h-its.org.\nIf you would like to participate online\, please register in advance here: https://kta-email.zoom.us/meeting/register/tJMrfu6spzIuHtOgC6naQ96p1gN2L58Lcev9\n\n\n\nAfter registering\, you will receive a confirmation email containing information about joining the meeting.\n\n\nIn case you are not able to attend\, you can watch the talk afterwards on the HITS YouTube channel: https://www.youtube.com/user/TheHITSters.
URL:https://www.h-its.org/event/colloquium-david-dao/
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/jpeg:https://www.h-its.org/wp-content/uploads/2022/09/Foto-David.jpg
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BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20221017T140000
DTEND;TZID=Europe/Berlin:20221017T160000
DTSTAMP:20260503T164914
CREATED:20221007T102805Z
LAST-MODIFIED:20221007T102805Z
UID:64676-1666015200-1666022400@www.h-its.org
SUMMARY:FAIRDOM User Meeting
DESCRIPTION:The purpose of the FAIRDOM user meetings is to establish an active FAIRDOM user community to allow networking between various FAIRDOM-SEEK users and learn from each other’s experiences. Within the two-hours event invited users will showcase the use of FAIRDOMHub and other FAIRDOM-SEEK instances for their research projects. After the presentations we’ll have plenty of time for discussions and networking. \nAgenda: \n\n14:00 – Welcome\n14:10 – Marek Ostaszewski (Luxembourg Centre for Systems Biomedicine\, LU)“FAIRDOMHub – a platform for the research community building the COVID-19 Disease Map”\n14:30 – Huiming Ding (Massachusetts Institute of Technology\, US)“Creating mutable samples using NExtSEEK”\n14:50 – Sara El-Gebali – (SciLifeLab Data Centre\, SE)“Samples Metadata at the SciLifeLab”\n15:10 – Rafael Andrade Buono (VIB\, BE)“DataHub: focusing on sample metadata”\n15:30 – Discussion\n\n  \nPlease register for free to get the Zoom access details.
URL:https://www.h-its.org/event/fairdom-user-meeting-2/
LOCATION:Online
CATEGORIES:Workshops and Conferences
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BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20221004T110000
DTEND;TZID=Europe/Berlin:20221004T120000
DTSTAMP:20260503T164914
CREATED:20220804T083033Z
LAST-MODIFIED:20220825T113442Z
UID:63588-1664881200-1664884800@www.h-its.org
SUMMARY:Colloquium Sarbani Basu: Learning physics through astronomy - the Sun and Stars as laboratories
DESCRIPTION:By Sarbani Basu\, Department of Astronomy\, Yale University\, USA \nWe normally rely on physics to interpret and understand astrophysical processes. However\, with precise seismic data from the Sun and other stars\, we can use astrophysics to inform us about the physical properties of stellar matter\, and in some cases inform us even about fundamental physics. \nIn this talk I shall describe how we use seismic data to study properties of matter. I shall also touch up how solar and stellar data have been used to put constraints on fundamental physics\, such as the time variation of the gravitational constant. \n  \nShort CV: \nSarbani Basu is the William K. Lanman Jr. Professor of Astronomy at Yale University\, USA. \nProf. Basu was educated in India. She obtained her Ph.D. in 1993 from the University of Mumbai for work done at the Tata Institute of Fundamental Research. Subsequently\, she did her postdoctoral work in helioseismology. She was a post-doc at the Queen Mary & Westfield College\, London\, and University of Aarhus\, Denmark before moving to the US in 1997 to join the Institute for Advanced Study\, Princeton.  She joined Yale University in 2000. She chaired the Department of Astronomy from 2016-2022. \nProf. Basu conducts research in the fields of solar and stellar astrophysics using seismic data. She has been studying both the general properties and the details of the structure and dynamics of the Sun\, focusing on solar-cycle dependences. Her interest in putting the Sun in a general astronomical context has led her to use asteroseismic data obtained by the Kepler and TESS spacecrafts to study other stars.  She has published over 290 peer-reviewed articles and a full-length book. Her work has garnered more than 25\,000 citations. Her papers can be found linked to her website at http://campuspress.yale.edu/sarbanibasu/ \nProf. Basu has won several awards and accolades. She received the Vainu Bappu Gold Medal of the Astronomical Society of India in 1996 for her early work on helioseismology.  In 2018\, she was awarded the George Ellery Hale award of the Solar Physics Division of the American Astronomical Society for her contributions to the understanding of the internal structure and dynamics of the Sun and stars. Her other achievements include the US National Science Foundation’s CAREER award in 2004\, being elected as a Fellow of the American Association for the Advancement of Science in 2015 and being elected to be among the inaugural batch of Fellows of the American Astronomical Society in 2020. \n  \nREGISTRATION: \nThe talk will be hybrid.\nIf you would like to participate in person\, please register in advance at benedicta.frech@h-its.org.\nIf you would like to participate online\, please register in advance here: https://kta-email.zoom.us/meeting/register/tJ0kceqoqzopH9N8g5xeY6Cs28iVZ7m1ga-g\n\n\n\nAfter registering\, you will receive a confirmation email containing information about joining the meeting.\n\n\nIn case you are not able to attend\, you can watch the talk afterwards on the HITS YouTube channel: https://www.youtube.com/user/TheHITSters.\n 
URL:https://www.h-its.org/event/sarbani-basu/
CATEGORIES:Colloquia,Public Events
ATTACH;FMTTYPE=image/jpeg:https://www.h-its.org/wp-content/uploads/2022/08/Photo.jpg
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BEGIN:VEVENT
DTSTART;TZID=Europe/Berlin:20220926T110000
DTEND;TZID=Europe/Berlin:20220926T120000
DTSTAMP:20260503T164914
CREATED:20220926T151320Z
LAST-MODIFIED:20221028T111825Z
UID:64733-1664190000-1664193600@www.h-its.org
SUMMARY:HITS/SIMPLAIX talk: Olexandr Isayev
DESCRIPTION:More on the event here: https://www.h-its.org/2022/10/04/isayev-talk/
URL:https://www.h-its.org/event/talk-olexandr-isayev/
ATTACH;FMTTYPE=image/jpeg:https://www.h-its.org/wp-content/uploads/2022/10/Ole_DSC07175-scaled.jpg
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END:VCALENDAR