Events

CCC group seminars take place fortnightly on Thursdays at 10am in the HITS meeting room Alan Turing.

26.10.2023

• Research report: Abdel
• Journal club: Dominique
• Secret scientist: Rostislav

12.10.2023

• Introduction: Gregor
• Research presentations: Anastasiia, Oliver, Carina
• Conference report: European Conference on Compu­tational and Theoretical Chemistry by Stiv and Rostislav, Paris International School on Advanced Computational Materials Science by Dominique, 9th European Symposium on Organic Reactivity (ESOR2023) by Anya
• Journal club: Rostislav
• Secret scientist: Christopher

HITS@Mathematikon

••• past •••

07.09.2023

• Research report: Stiv
• Conference report: Advanced Quantum ESPRESSO School by Alessandro
• Journal club: Anna “Reaction mechanisms“

20.07.2023

• Research report: Alessandro
• Conference report: 17th International Congress on Quantum Chemistry by Anna and Christopher, International Conference on Computational and Mathematical Methods in Science and Engineering by Christopher
• Journal club: Stiv “ML-based prediction of partial atomic charges“
• Secret scientist: Abdel – F. Duncan M. Haldane

29.06.2023

• Research reports: Florian, Owen
• Conference reports: 10th Pacific Symposium on Radical Chemistry by Anya; SFB1249 “Materials for Organic Electronics” and CECAM / Psi-k Research Conference “Bridging length scales with machine learning: from wavefunctions to thermodynamics” by Stiv; “Learning on Graphs Paris Meetup” by Rostislav
• Journal club: Alessandro “The Na•••B bond conundrum“

31.05.2023 (Wednesday at 10:00 in Konrad Zuse!)

• Research report: Anna
• Journal club: Christopher
• Secret scientist: Alessandro – Sofia Calero

11.05.2023

• Research update: Christopher
• Journal club: Abdel “New types of chemical bonds“
• Conference report: “SIMPLAIX Workshop on Machine Learning for Multiscale Molecular Modeling” by Rostislav, Nastya, and Stiv
• Secret scientist: Dominique – Johannes Kästner

20.04.2023

• Research update: Stiv
• Secret scientist: Anna – Francois-Xavier Coudert

04.04.2023 (Tuesday at 2pm!)

• Research update: everyone
• Journal club: Rostislav “Intramolecular Dispersion“
• Secret scientist: Nastya – Reinhart Ahlrichs

23.03.2023

• Research introduction: Alessandro
• Internship introduction: Florian
• Journal club: Nastya “Many Faces of Aromaticity“
• Secret scientist: Rostislav – Todd Martinez

08.03.2023 (Wednesday at 2pm!)

• Research introduction: Dominique
• Journal club: Michelle “Intermolecular Covalent Interactions“
• Secret Scientist: Abdel – Silke Biermann

23.02.2023

• Research update: Abdel
• Paper report: Anya – “Why Is Quantum Chemistry So Complicated?“
• Secret Scientist: Stiv – Chris Cramer

09.02.2023

• Research update: Rostislav
• Paper report: Anna – “Boosting Oxygen Electrocatalytic Activity of Fe–N–C Catalysts by Phosphorus Incorporation“
• Secret Scientist: Anya – Sarah (Sally) Price

26.01.2023

• Group chat
• Paper report: Stiv – “Machine Learning Meets Chemical Physics“
• Secret Scientist: Anna – Miguel Alexandre Lopes Marques

12.01.2023

• Research plan: everyone
• Short tutorial: Rostislav on ChatGPT
• Paper report: Abdel – “In Silico Discovery of Covalent Organic Frameworks for Carbon Capture“
• Secret scientist: Christopher – John Perdew

15.12.2022

• Talk: Anya “Group’s progress and future”
• Paper report: Christopher – “Electrocatalysis Goes Nuts“
• Secret Scientist: Michelle – Heather Kulik

01.12.2022

CCC + AG Dreuw joint seminar, talk by Dr. Luke Wylie (Uni Bonn) “A Theoretical Study of the Thermodynamic Absorption of CO2 by Epoxidized Ionic Liquids”.

14:00, SR10 in Mathematikon

16.11.2022 (Wednesday!)

• Research update: Owen
• Secret Scientist: Rostislav – Gregory Landrum

03.11.2022

• Research update: Anna
• Paper report: Nastya – “Best-Practice DFT Protocols for Basic Molecular Computational Chemistry“
• Secret Scientist: Abdel – Stefan Grimme

20.10.2022 (at 14:00!)

• Introductory talk: Abdel
• Research update: Christopher
• Paper report: Michelle – “Prebiotic Soup Components Trapped in Montmorillonite Nanoclay Form New Molecules: Car-Parrinello Ab Initio Simulations“
• Conference report: Michelle – Leverhulme
• Secret Scientist: Stiv – Benedetta Mennucci

06.10.2022

• Research update: Nastya, Owen, Stiv
• Paper report: Rostislav – “Rational Density Functional Selection Using Game Theory“
• Conference report: Michelle – Leverhulme
• Secret Scientist: Anya – Sharon Hammes-Schiffer

14.07.2022

• Michelle: Introduction to Covalent Organic Frameworks
• Stiv & Rostislav: Automatic Structure Preparation – COFs
• Paper report: Anya – “The Importance of Stupidity in Scientific Research“
• Conference report: Stiv – “Young Researcher’s Workshop on Machine Learning for Materials 2022” and SFB1249 Symposium “Materials for Organic Electronics: Synthesis, Spectroscopy and Theory”; Anna – ESPA2022; Michelle and Christopher – WATOC2020.
• Secret scientist: Anna – Ismaila Dabo

23.06.2022

• Sophia: final project report

01.06.2022 (Wednesday!)

• Stiv: research update
• Rostislav: introduction (postponed till next week)

05.05.2022

• Sophia: project report
• Paper report: Anna – “Automated Molecular Cluster Growing for Explicit Solvation by Efficient Force Field and Tight Binding Methods“
• Secret scientist: Michelle – Elfi Kraka
• Anya: various topics

26.01.2022

• Felix: final project report
• Anya: various topics
• Paper report: Stiv – “An Additivity Scheme for Aromaticity: The Heteroatom Case“
• Conference report: Michelle – “European Young Chemists’ Meeting 2022”
• Secret scientist: Christopher – Lu Jeu Sham

18.11.2021

• Stiv: research update
• Anna: research update
• Felix: short update
• Paper report: Christopher – “Controlled-Potential Simulation of Elementary Electrochemical Reactions: Proton Discharge on Metal Surfaces“
• Secret Scientist: Stiv – Hendrik Zipse

21.10.2021

• Juliette: Metallophilicity in Gold Catalysis
• Christopher: Inversion of Tetrahedral p-Block Element Compounds
• Paper report: Michelle – “How Accurate Are Approximate Density Functionals for Noncovalent Interaction of Very Large Molecular Systems?“
• Secret Scientist: Anna – Nora de Leeuw

28.09.2021

• Short research updates without visual aides by all group members
• Conference updates: Anna, Michelle, Christopher
• Secret Scientist: Anya – Jens Nørskov

10.06.2021

• Presenter: Anna “How Can We Predict the Performance of Graphene-Based Sensors?”
• Short update: Sebastian
• Secret Scientist: Michelle – Matthias Bickelhaupt
• Paper report: Anya – “What’s Left for a Computational Chemist To Do in the Age of Machine Learning?“
• Conference update: Anna – “Modelling, Simulation, and Optimization in Molecular Systems Engineering & Life Science“

22.04.2021

• Presenter: Michelle “Host-Guest Interactions in MOFs – Follow-Up”
• Short updates: Juliette, Sebastian
• Secret Scientist: Juliette – Franziska Schönebeck
• Paper report: Sebastian – “Structural and Electronic Properties of Perylene from First Principles Calculations“
• Conference update: Christopher – “DPG Spring Meeting of the Surface Science Division“

25.02.2021

• Short updates: Michelle, Juliette, Anna, Christopher
• Presenters: Christopher “Multiconfigurational Study of AlCx- + O₂ (with Lukas Sigmund from Greb group)
• Secret Scientist: Christopher – Rodney J. Bartlett
• Paper report: Anna – “Challenging the Electrostatic σ‐hole Picture of Halogen Bonding Using Minimal Models and the Interacting Quantum Atoms Approach“
• Conference update: Juliette and Anna – “Virtual Winter School on Computational Chemistry“

28.01.2021

• Presenter: Dr Kun-Han Lin from MPI for Polymer Research, Mainz “Rational Design of Hole Transport Materials: Tools and Structure-Packing-Property Relationships”
• Secret Scientist: Anna – Roberto Car
• Paper report: Anya – “Discovering Chemistry with an Ab Initio Nanoreactor“

03.12.2020

Change of time: 15:00-16:30

• Presenter: Dr Gabriel dos Passos Gomes from University of Toronto “Machine Learning Dihydrogen Activation in the Chemical Space Surrounding Vaska’s Complex”
• Secret Scientist: Anya – Mark S. Gordon
• Paper report: Michelle – “Biocompatible Iron(iii) Carboxylate Metal-Organic Frameworks as Promising RNA Nanocarriers“

29.10.2020

Change of time: 13:00-15:00

• Presenter: Anna “Update on the Adsorption of Nitroaromatic Contaminants on Graphene-Based Sensors, and Future Directions”
• Presenter2: Christopher “Nitrobenzene Reduction Updates”
• Secret Scientist: Michelle – Martin Karplus
• Paper report: Oguzhan – “Organic Neutral Radical Emitters: Impact of Chemical Substitution and Electronic-State Hybridization on the Luminescence Properties“
• Conference report: Oguzhan on CMD2020GEFES, Anna and Christopher on Graphene 2020

17.09.2020

• Presenter: Michelle “An Assessment of Quantum Chemical Tools to Study Host-Guest Interactions in MOFs”
• Presenter 2: Juliette “Metal Free Catalysis of The Oxygen Reduction Reaction – A Systematic Theoretical Approach”
• Presenter 3: Oguzhan “The Benchmarking Study of Aufbau and Non-Aufbau Radicals”

02.07.2020

• Presenter: short research update from everyone (Anna, Oguzhan, Christopher, Juliette and Michelle)
• Paper report: Anya – “Graph Theory Model of Dry Reforming of Methane Using Rh(111)“

18.06.2020

• Presenter: Anya “Look of Science”
• Secret scientist: Juliette – Joachim Sauer
• Paper report: Christopher – “A Genetic Algorithm for First Principles Global Structure Optimization of Supported Nano Structures”

04.06.2020

• Presenter: Anya “Word of Science”
• Presenter 2: Juliette “Metal Free Catalysis of the Oxygen Reduction Reaction – A Systematic Theoretical Approach”
• Secret scientist: Christopher – Anna Krylov
• Paper report: Anna – “What is “Many-Body” Dispersion and Should I Worry About It?”

16.04.2020

• Presenter: Christopher “Modeling Non-Covalent Interactions of Graphene and Small Gas Molecules: An Assessment of Cluster Models and Methods”
• Secret scientist: Anna – Sigrid Peyerimhoff
• Paper report: Oguzhan – “Design Considerations for Oligo(p-Phenyleneethynylene) Organic Radicals in Molecular Junctions”

12.03.2020

• Presenter: Anna “Adsorption of NACs on Graphene and Derivatives: Overview and Preliminary Results”
• Secret scientist: Oguzhan – Emily Carter
• Paper report: Anya – “The Electronic Structure of Benzene from a Tiling of the Correlated 126-Dimensional Wavefunction”

27.02.2020

• Presenter: Oguzhan “Wonders of Non-aufbau”
• Secret scientist: Anya – Michelle Coote
• Paper report: Christopher – “What is not required to make a single molecule magnet”
• Conference report: Anna “International Winter School on Electronic Structure Calculations”

30.01.2020

• Presenter: Anya “Topological Control of Single-Molecule Conductance”
• Secret scientist: Christopher – Georg Kresse
• Paper report: Anna – “Molecular Dynamics of CH₄/N₂ Mixtures on a Flexible Graphene Layer: Adsorption and Selectivity Case Study”

21.11.2019

• Presenter: Christopher “Summary and Outlook”
• Secret scientist: Anna – Erin Johnson
• Paper report: Oguzhan – “SOMO–HOMO Level Inversion in Biologically Important Radicals”

07.11.2019

• Presenter: Anna “Past Research and Future Projects”
• Secret scientist: Oguzhan – Kendall Houk
• Paper report: Anya – “Do Special Noncovalent π–π Stacking Interactions Really Exist?”

24.10.2019

• Presenter: Oguzhan “Master Project and Future Research”
• Secret scientist: Anya – Sason Shaik

10.10.2019

• Presenter: Anya “Introduction to CCC”

13.11.2023

HITS Scientific Seminar by Jan Gerit Brandenburg (Head of Digital Chemistry, Merck KGaA): “Digital Chemistry at Merck: Bridging Physics and AI in Industry Simulations”

16:00, Alan Turing

23.10.2023

HITS/SIMPLAIX Colloquium by A/Prof. Volker Deringer (University of Oxford): “TBA”

11:00, Studio Villa Bosch

09.10.2023

HITS Scientific Seminar by Daniel Bultrini (Heidelberg University): “Error Mitigation to Chemical Algorithms for Near-Term Quantum Computers”

16:00, Alan Turing

05-06.10.2023

Group excursion

Mosel/Rhein

28.09.2023

HITS/SIMPLAIX Colloquium by Prof. Fernanda Duarte (University of Oxford): “Exploring Chemical Reactivity in the Age of Automation and ML”

11:00, Studio Villa Bosch

••• past •••

10-11.07.2023

Group evaluation

HITS

13.06.2023

HITS Colloquium by Prof. Olexandr Isayev (Carnegie Mellon University): ” Accelerating design of organic materials with machine learning and AI”

11:00, Studio Villa Bosch

27.04.2023

Workshop “Molecules of smell and colour” by CCC at the HITS+SIMPLAIX Girls Day.

09:00-12:30, HITS

06.03.2023

CCC research reports at HITS Lab Meeting.

11:00 at Villa Bosch / zoom

30.01.2023

HITS Happy Hour by CCC + SET

16:30, HITS

23.01.2023

HITS Colloquium by Dr. Peter Smillie (Heidelberg University): “”Counting fullerenes with modular forms — an application of number theory to carbon chemistry”

11:00, Studio Villa Bosch / Zoom

09.12.2022

CCC XMas.

Anya’s place

21.11.2022

HITS/SIMPLAIX Colloquium by Prof. Michele Ceriotti (EPFL, Laboratory of Computational Science and Modelling COSMO, Lausanne, Switzerland): “Atomic-scale modeling in the age of machine learning”

11:00, Studio Villa Bosch

26.10.2022

“Look of Science”: Anya’s tips for making figures.

14:00, Alan Turing

25.10.2022

CCC+MBM+MCM Joint Poster Session.

10:00, Villa Reiner

19.10.2022

“Word of Science”: Anya’s tips for writing papers.

14:00, Alan Turing

14.10.2022

Group dinner “Neuer Wein”.

17:00, HITS

26.09.2022

HITS/SIMPLAIX Colloquium by Prof. Olexandr Isayev (Carnegie Mellon University, USA): “Neural networks learning computational chemistry”

11:00, Villa Bosch

16.09.2022

Group excursion.

Europa Park

07.06.2022

Informal group seminar (Rostislav’s introduction), followed by Laser Tag.

16:00, Mathematikon bldg. 45, HITS meeting room

12.04.2022

SIMPLAIX Inaugural Meeting.

16:00 at Villa Bosch

10.01.2022

CCC scientific reports by Stiv and Anna at the HITS LabMeeting.

11:00

15.12.2022

CCC Christmas Seminar, follower by the HITSmas.

15:00 via zoom

28.06.2021

HITS Colloquium by Prof Alán Aspuru-Guzik (Department of Chemistry and Department of Computer Science, University of Toronto, Canada): “There is no time for science as usual: Materials Acceleration Platforms”

16:00 via zoom

26.04.2021

HITS Colloquium by Prof Lilian Chong (University of Pittsburgh, USA): “Weighted ensemble simulations of long-timescale dynamics: From chemical reactions to SARS-CoV-2”

15:00 via zoom

19.04.2021

HITS Scientific Seminar by Johannes Greiner (IBM Deutschland R&D, Quantum and Cognitive Systems Development): “IBM Quantum – an introduction to Quantum Computing and Europe’s first commercial Quantum Computer”

16:00 via zoom

08.03.2021

HITS Scientific Seminar by Michelle Ernst: “Intermolecular Interactions in Metal-Organic Frameworks”

16:00 via zoom

25.01.2021

HITS Colloquium by Prof Erin Johnson (Dalhousie University, Canada): “Dispersion Interactions in Density-Functional Theory and Application to Molecular Crystal-Structure Prediction”

15:00 via zoom

07.12.2020

CCC scientific reports by Michelle and Christopher at the HITS LabMeeting.

11:00 via zoom

12.10.2020

HITS Colloquium by Prof Claudia Draxl (Humboldt-Universität zu Berlin): “Predicting Properties of Complex Materials: Challenges for Modern ab initio Theory”.

11:00 via zoom

07.09.2020

HITS scientific seminar by Dr Giulia Mangione (FCA Italy) on “Pursuing a career in industry: challenges and opportunities after the PhD”.

16:00 digital via zoom

[15:00 pre-seminar CCC presentations, digital]

25.05.2020

HITS scientific seminar by Alberto Fabrizio (EPF Lausanne) on “Quantum Chemistry Meets Machine Learning”.

16:00 digital via zoom

04.03.2020

Joint poster session with MCM and MBM.

10:30-13:00 in HITS meeting room Alan Turing

17.12.2019

CCC Christmas Dinner.

19:30 in the “zum Seppl” restaurant

02.12.2019

CCC scientific reports by Anna and Oguzhan at the HITS LabMeeting.

11:00 in the Villa Bosch

26.11.2019

Science Speed Dating with MCM and MBM.

11:00-12:30 in the foyer of Studio Villa Bosch

CCC Movie Night: Do You Trust This Computer?

19:30 at Karlstor Kino (18:00 dinner at Palmbräu Gasse)

25.11.2019

HITS Scientific Seminar Series: Anya “The Rules of Attraction: Interaction Forces between Molecules, and Beyond”.

16:00 in HITS meeting room Alan Turing

Regular lectures and seminars on campus and online

• Theoretical Physical Organic Seminar
• Joint Theoretical Chemistry Seminar
• PTC Virtual Seminar
• IWR Colloquia
• Lieseberg-Kolloquium
• FI EMS Colloquium
• Colloquia on Advanced Materials
• CAM Seminars
• Chemische Gesellschaft zu Heidelberg Events
• SFB 1249 Events
• SIMPLAIX Events
• HGS MathComp Events

09.01.2024

Lieseberg Colloquium lecture “TBA” by Prof. Janine George, BAM and FSU Jena.

08.11.2023

Anya’s talk “Exploring Chemical Space with Machine Learning” at the TU Braunschweig seminar series.

15:00, Braunschweig

26.09.2023

IMSEAM seminar “Controlling Macromolecular Architecture: Polymer Rings, Discs, Bottlebrushes and Some Potential Applications” by Prof. Markus Müllner, University of Sydney

13:00, INF225 IMSEAM seminar room

••• past •••

07.07.2023

Jour Fixe “The Role of Multiscale Modeling in Molecular Discovery” by Prof. Tristan Bereau, Heidelberg University.

13:30, Großer Hörsaal in Philosophenweg 12 and via Zoom

06.07.2023

Lecture “How to Enhance Chemical Databases for Atomistic Machine Learning” by Luis Itza Vazquez-Salazar, University of Basel.

16:00, Seminar room of Philosophenweg 19‌

04.07.2023

Lieseberg Colloquium lecture “Theoretical Approaches to Chiral Induced Spin Selectivity” by Prof. Carmen Herrmann, Universität Hamburg.

17:15, INF 252, HSW

25.05.2023

Anya’s talk “Engineering Organic Frameworks for Molecular Storage” at the Mulliken Center for Theoretical Chemistry, University of Bonn.

17:00, Bonn

24.05.2023

IWR Colloquium lecture “Exploring Multi-Million Compound Spaces With Chemical Accuracy Using Machine Learning” by Prof. Heather Kulik, MiT.

16:15, Mathematikon

23.05.2023

Lieseberg Colloquium lecture “Curvature in Carbon Materials: Strained Macrocycles, Chiral Frameworks, and Photomagnetic Switching” by Dr. Oliver Dumele, HU Berlin.

17:15, INF 252, HSW

16.05.2023

Chemische Gesellschaft zu Heidelberg lecture “Accelerating Design of Organic Materials with Machine Learning and AI” by Prof. Olexander Isayev, CMU.

17:15, INF 252, HSW

09.05.2023

Lieseberg Colloquium lecture “Using Machine Learning to Tame Electronic Structure Errors in Chemical Discovery” by Prof. Heather Kulik, MiT.

17:15, INF 252, HSW

24.04.2023

Anya’s talk “Engineering Organic Frameworks for Molecular Storage” at the FI EMS Colloquium, Heidelberg University.

17:00, INF 225, SR 01.413

31.01.2023

Lieseberg Colloquium lecture “Modeling the Photophysics of d10 Transition Metal Organic and Metal-Free OLED Emitters Based on Phosphorescence or Thermally Activated Delayed Fluorescence” by Prof. Christel Marian, HHU Düsseldorf.

17:15, INF 252, Hörsaal West

26.01.2023

IWR Posters & Christmas Party

17:00, Mathematikon A

08.12.2022

Stiv’s talk “New Molecular Representations for Radical Ions” at the Theoretical Physical Organic Chemistry seminar.

18:00 via zoom

14.11.2022

Lieseberg Colloquium lecture “Machine Learning for Nanoporous Materials Design” by Dr. Seyed Mohamad Moosavi, FU Berlin.

14:00, INF 252, Kleiner Hörsaal

07.11.2022

WCPM/HetSys Seminar “Computational Chemistry and Machine Learning of Functional Organic Materials” by Anya.

14:00, via Zoom

29.06.2022

HGS MathComp von Neumann lecture “Machine Learning and Inverse Design of Soft Materials“ by Prof. Marjolein Dijkstra, Leonard S. Ornstein Laboratory, Utrecht University.

16:15, Mathematikon conference room (INF 205, 5th floor, Room 5/104)

10-11.06.2022

Symposium “Materials for Organic Electronics: Synthesis, Spectroscopy and Theory” at Heidelberg University. Lecture by Anya, poster by Steve.

Chemistry Lecture Hall Building, INF 252

04.02.2022

Stiv’s research update at the SFB1249 Werkstattgespräch.

13:00, Chemistry Lecture Hall at INF.

06.12.2021

Lieseberg-Kolloquium by Prof Agnieszka Nowak-Król (Universität Würzburg) on “Merging chirality with boron. Opportunities and challenges in the synthesis of novel π-conjugated materials”

17:00 via zoom

23.11.2021

Anya’s talk at the Joint Theoretical Chemistry Seminar (IWR, Heidelberg University) on “Computational Graphene Chemistry”

16:00, Conference hall at Mathematikon

05.07.2021

Anya’s talk at Lieseberg Colloquium (Heidelberg University) on “Research in the Computational Carbon Chemistry Group”

17:00 via zoom

03.06.2021

International Workshop on Computer-Aided Materials Discovery: Data-Driven Research.

18:00 via zoom.

27.05.2021

International Workshop on Computer-Aided Materials Discovery: Automation.

18:00 via zoom.

21.04.2021

IWR Colloquium: Prof. Reinhard J. Maurer (University of Warwick) “Machine Learning Representations of Molecular Electronic Structure: From Deep Learning of Wave Functions to Big-Data-driven Quantum Chemistry”

16:15 via zoom

29.03.2021

Anna’s talk “How Can We Predict the Performance of Graphene-Based Sensors?” at the Hütter group seminar (UZurich).

10:00 via zoom

12.03.2021

Christopher’s talk “” PSIXAS: Psi4 Plugin for Efficient Simulations of X-Ray Adsorption Spectra” at the Guehr group seminar (UPotsdam).

14:00 via zoom

01.10.2020

Anya’s colloquium “Crossing Electronic Bridges: Computational Chemistry of Molecular Junctions” at the virtual (Bio)Molecular Electronics Colloquia.

15:00 via zoom, https://sites.google.com/view/bmec2020/home

21-25.09.2020

4EU+ School @ IWR “Mathematical and Computational Methods for Challenging Applications”.

Heidelberg

31.08-04.09.2020

CMD2020GEFES, a large international conference covering all aspects of condensed matter physics.

Online

16.07.2020

Dr. Andrea Droghetti (Trinity College Dublin, Ireland) colloquium “Electronic Structure and Transport Properties of Hybrid Molecular Junctions” at the virtual (Bio)Molecular Electronics Colloquia.

15:00 via zoom, https://sites.google.com/view/bmec2020/home

!cancelled! 13.03.2020

Prof. Michelle Coote (Australian National University) colloquium “Electrochemical and Electrostatic Catalysis of Chemical Reactions” at the Centre for Advanced Materials, Heidelberg University.

14:00 in CAM seminar room 01.413 (1st floor)

12.02.2020

Anya’s tutorial seminar “Happy together: how computational chemistry can advance functional materials” at the Centre for Advanced Materials, Heidelberg University.

14:00 in CAM seminar room 01.413 (1st floor)

22.01.2020

Anatole von Lilienfeld‘s colloquium “Quantum Machine Learning” at the IWR.

16:15 in Mathematikon Conference Room 5/104, INF 205

16.01.2020

Roman Fasel‘s colloquium “Nanographenes with intrinsic π-magnetism: From molecules to spin chains” at the Centre for Advanced Materials, Heidelberg University.

16:00 in CAM Seminar room 01.413 (1st floor)

18 – 20.11.2019

Interdisciplinary Symposium: Chemical Concepts and Quantum Chemistry.

Anya will present a talk on the “Quantification of Fuzzy Chemical Concepts” on Wednesday 20.11 at 9:50.

Mathematikon

17.10.2019

Gemma Solomon (University of Copenhagen, Denmark) colloquium “How Low Can We Go? The Search For Quantum Interference Based Single-Molecule Insulators” at the Centre for Advanced Materials, Heidelberg University.

16:00 in CAM seminar room 01.413 (1st floor)