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Seminar "Dynamical aspects of theoretical chemistry"

Thursday, 2:15 - 3:45 pm, Webex seminar

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