Seminar "Dynamical aspects of theoretical chemistry"
Thursday, 2:15 - 3:45 pm, Webex seminar
- Meeting link: https://fu-berlin.webex.com/fu-berlin/j.php?MTID=m0585c5aa3236405e57d3b9a66f480125
- Meeting number: 121 137 1761
- Password: pAbxxA7j5U3
| Date | Speaker |
| 15. Apr | Lauren Finn (FU Berlin): "Molecular Simulations of Fluorinated Phosphotyrosine Mimetics" - Note the modified starting time at 11 am! |
| 22. Apr | Orga meeting |
| 28. Apr |
PC/TC Colloquium Prof. Christiane Koch (FU Berlin): "Quantum effects in cold and controlled molecular dynamics" Note the shifted time and place: Wed, 28th Arpil, 4.15 pm |
|
06. May |
Simon Ghysbrecht (FU Berlin): "Free energy profiles for thermal isomerisation in Retinal from ab-initio molecular dynamics" Note the shifted time at 13:00h! |
| 06. May |
Recommended workshop: CECAM Mixed-gen Session 5: Machine Learning Micheale Cerriotti (EPFL Switzerland) "The thin line between physics and data" |
| 13. May | -------- public holiday: no seminar -------- |
| 20. May | Simon Petry (FU Berlin): "Theoretical Characterization of Photosynthetic Light Processes (Blue Light Pathways)" |
| 27. May | Marco Manni (FU Berlin): "Constant Pressure in MD Simulations" - Note the modified starting time at 11 am! |
| 03. Jun | Marius Wenz (FU Berlin): “MDG Archive - structure and content - a proposal” |
|
10. Jun |
Franz Schreiber (FU Berlin): "Path Ensembles of Langevin Integrators" Note the shifted time at 14:00h! |
| 10. Jun |
UniSysCat Colloquium, Karsten Reuter (FHI) Note the time: 5 pm - 6 pm, place to be announced. |
| 17. Jun |
Frederick Heinz (FU Berlin): "An introduction to peptide-based hydrogels" Thilo Fischer (FU Berlin): "Atomistic Mechanisms and Solvent Role for Globular Protein Dimer Dissociation" |
| 23. Jun |
PC/TC Colloquium: Wed, 23 June, 4.15 pm! Michael von Domaros (FU Berlin): "Modeling Human Skin Oil Oxidation and its Impact on Indoor Air Chemistry" |
| 24. Jun | -------- no seminar -------- |
| 01. Jul | -------- no seminar -------- |
| 08. Jul |
Jan Joswig (FU Berlin): Current progress in density-based clustering using CommonNNClustering - cnnclustering 0.4: Making a generic interface Puneeth Kouloorka (FU Berlin): Analysis of Molecular Dynamics simulation by density-based clustering |
| 15. Jul |
Luca Donati (FU Berlin): The origin of position-dependent diffusion along relevant coordinates in MD simulations Yiran Zhang (FU Berlin): Molecular dynamics simulations of the Sar-bicycle derivative of Amanitin |