CCC Gruppe
Computational Carbon Chemistry

Veranstaltungen

CCC group seminars take place fortnightly on Thursdays at 11am in the HITS meeting room Jim Gray or via Zoom.

03.06.2021

  • Presenter: Anna
  • Secret Scientist: Michelle
  • Paper report: Anya

••• past •••

22.04.2021

25.02.2021

28.01.2021

03.12.2020

Change of time: 15:00-16:30

29.10.2020

Change of time: 13:00-15:00

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

18.06.2020

04.06.2020

16.04.2020

12.03.2020

27.02.2020

30.01.2020

21.11.2019

07.11.2019

24.10.2019

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

10.10.2019

  • Presenter: Anya „Introduction to CCC“

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

••• past •••

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

TBA

Symposium “Materials for Organic Electronics: Synthesis, Spectroscopy and Theory” at Heidelberg University.

Chemistry Lecture Hall Building, INF 252

09.09.2021

Theoretical Physical Organic Chemistry (TPOC) meeting.

18:00 via zoom

12.08.2021

Theoretical Physical Organic Chemistry (TPOC) meeting.

18:00 via zoom

08.07.2021

Theoretical Physical Organic Chemistry (TPOC) meeting.

18:00 via zoom

05.07.2021

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

17:00 via zoom

10.06.2021

Theoretical Physical Organic Chemistry (TPOC) meeting.

18:00 via zoom

28.05.2021

SFB1249 Colloquium by Prof. Toshihiro Okamoto (University of Tokyo): „Robust and high-performance organic semiconductors towards high-end devices“

13:15 via zoom.

13.05.2021

Theoretical Physical Organic Chemistry (TPOC) meeting.

18:00 via zoom

••• past •••

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

16.04.2021

SFB1249 Werkstattgespräch.

13:15 via zoom

08.04.2021

Theoretical Physical Organic Chemistry (TPOC) meeting.

18:00 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

19.03.2021

SFB1249 Werkstattgespräch.

13:15 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

11.03.2021

Theoretical Physical Organic Chemistry (TPOC) meeting.

18:00 via zoom

19.02.2021

SFB1249 Werkstattgespräch.

13:15 via zoom

22.01.2021

SFB1249 Werkstattgespräch.

13:15 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)

03.02.2020

Wolfgang Eisfeld „Development of diabatic potential energy surfaces (PESs)
 for molecular quantum dynamics simulations“ at the Joint Theoretical Chemistry Seminar.

16:15 in „Kleiner Hörsaal“, INF 252

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)

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