Seminar "Dynamical aspects of theoretical chemistry"
Thursday, 2:15 - 3:45 pm
Arnimallee 22, SR PTC (Raum A.006, EG)
| Date | Speaker |
|
26. Sep |
---- internal seminar ----- |
|
1. Oct 2.15 pm A22. B.-131 |
Taras Pogorelov (University of Illinois Urbana Champaign): Capturing biomolecular dynamics in cell: making a match between modeling and experiments Note the shifted time and place |
|
10. Oct |
Charlotte Radelof (FU Berlin): Building machine learning models to classify HSP90 inhibitors |
|
17. Oct |
Frederick Heinz (FU Berlin): An introduction to thermostats in MD |
|
24. Oct |
CRC 1114 seminar Peter Bolhuis (Vrije Universiteit Amsterdam): tba Sascha Jähnigen (FU Berlin): Vibrational circular dichroism and multiscale chirality from first principles note the shifted time and place: Thu, 24. Oct 2024, 2 - 6 pm, Arnimallee 6 |
| 31. Oct | Bettina Keller (FU Berlin): An introduction to free-energy perturbation |
| 7. Nov | CRC 1349 network meeting |
|
20. Nov. 6.00 pm |
OC Seminar Peter R. Schreiner (Justus Liebig University): Rethinking Chemistry: The Role of Quantum Mechanical Tunneling note the shifted time and place: Wed, 20. Nov 2024, 6.00 pm, SupraFAB (Raum 119) |
| 21. Nov | Maximilian Schebek (FU Berlin): Efficient mapping of phase diagrams with conditional Boltzmann Generators |
|
Wed, 27. Nov 4.00 pm |
PC/TC seminar Anne-Marie Kelterer (TU Graz): "Photoinitiators for Radical Photopolymerization - A Computational Study" note the shifted time and place |
|
28. Nov |
Mohammad Rahbar (TU München): Unifying implicit and explicit solvation models: A consistent approach for strongly correlated systems Hana Zupan (FU Berlin): Towards grid-based models for molecular association |
| 5. Dec | Joana Lysiane Schäfer (FU Berlin): Practical recipes for Markov State Models building |
| 12. Dec |
CRC 1114 seminar Petros Koumoutsakos (Harvard University): tba Frank Noé (FU Berlin, Microsoft Research): tba note the shifted time and place: Thu, 12. Dec 2024, 3 - 5.30 pm, Arnimallee 6 https://www.mi.fu-berlin.de/en/sfb1114/events/CRC-Colloquium/2024_12_December.html |
|
19. Dec |
Leon Gerndt (HU Berlin): Multifunctional Molecular Systems: From Photoswitches to Catalysis |
|
--------- Christmas break ------------ |
|
|
09. Jan |
Johann Arthur Laux (FU Berlin): progress presentation Master project Chandramouli Reddy (FU Berlin): progress presentation Master project |
|
16. Jan |
CRC 1114 Seminar and Networking Day of the Department for Biology, Chemistry and Pharmacy https://www.bcp.fu-berlin.de/en/termine/2025/20250116-networking-day.html https://www.mi.fu-berlin.de/en/sfb1114/events/CRC-Colloquium/2025_01_January.html |
|
23. Jan |
Hassan Abdelwahab (FU Berlin): Literature seminar "General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer" Nikolas Froböse (FU Berlin): tba |
|
30. Jan |
---------- Hackathon ------------- |
|
Wed, 05. Feb 9-11 am |
Simon Ghysbrecht (FU Berlin): "Enhancing Molecular Dynamics Simulations: From Trajectories to Reaction Rates" (PhD defense) note the shifted time and place: Wed, 5 Feb, 9-11 am, Room 201, SupraFAB Building, Altensteinstraße 23a, 14195 Berlin |
| 13. Feb | Kai Töpfer (Uni Basel): "Machine-Learned Potential Models for Molecular Simulation" |
| 20. Feb |
Lauren Finn (FU Berlin): tba CRC1349 seminar |
|
27. Feb |
Project presentation "Theoretical Chemistry" |