Seminar "Dynamical aspects of theoretical chemistry"
Thursday, 2:15 - 3:45 pm, hybrid seminar
Offline:
Arnimallee 22, SR PTC (Raum A.006, EG)
Online:
- Meeting link: https://fu-berlin.webex.com/fu-berlin/j.php?MTID=m0585c5aa3236405e57d3b9a66f480125
- Meeting number: 121 137 1761
- Password: pAbxxA7j5U3
| Date | Speaker |
| 20. Apr |
Sascha Jähnigen (Sorbonne Université & CNRS): "Vibrational Circular Dichroism of Chiral Crystals: The Interplay of Symmetry and Chirality" Note the shifted place: B.-131 (UG1)! |
| 27. Apr |
Hana Zupan (FU Berlin): "Molgri: from points on a sphere to square-root approximation" Amit Lal (FU Berlin): "Interaction of inositolhexakisphophate with Calcium ions" |
| 04. May | Simon Ghysbrecht (FU Berlin): "Reweighting escape rates from underdamped Langevin integrators" |
| 11. May | Bettina Keller (FU Berlin): "Tuning molecular potentials by imposing kinetic constraints with path reweighting" |
| 18. May | ------ public holiday --------- |
| 25. May | Fabian Langkabel (Helmholtz-Zentrum Berlin): "Development and implementation of new methods for many-electron dynamics" |
| 01. Jun |
Mihkel Ugandi (HUBerlin): "Design of selected configuration interaction algorithms for strongly correlated chemical systems" |
| 08. Jun |
Seminar moved to the Colloquium of the CRC 1349 Max Holthausen (Frankfurt a.M.): tba Marc Reimann (TU Berlin): Computational studies of acid-base interactions in fluorine chemistry Note the shifted time and place: Arnimallee 22, lecture hall A (B.006), 1:00 - 3:00 pm |
| 21. Jun |
Ariane Nunes Alves (TU Berlin): "Characterization of Unbinding Mechanisms and Kinetics for Protein-Ligand Complexes Using τRAMD" Note the shifted time and place: Wed, 21 June, 2.15 pm, Arnimallee 22 SR B.-131 UG1 |
| 22. Jun |
Bettina Keller (FU Berlin): "Rare-event simulations with Girsanov reweighting" Joint seminar with TRR146: Multiscale Simulation Methods for Soft Matter Systems |
| 29. Jun |
Lauren Finn (FU Berlin): tba Mick Glasius (Eindhoven University of Technology, FU Berlin): tba |
| 06. Jul |
Leon Wehrhan (FU Berlin): tba |
| 13. Jul |
Short presentations by new appointees of the department Note the shifted time and place: Arnimallee 22, big lecture hall, 2:30 - 4:00 pm |
| 20. Jul |
Frederick Heinz (FU Berlin): "Difficulties with self assembled hydrogels" Joana-Lysiane Schäfer (FU Berlin): "Girsanov path reweighting with deeptime and OpenMM" |