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Seminar "Dynamical aspects of theoretical chemistry"

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


Arnimallee 22,  SR PTC (Raum A.006, EG)


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"