ACMM Spring Symposium

The next ACMM symposium will be organized at the PC Hooft Huis in Amsterdam with local, national and international speakers. The symposium free and open for friends of the ACMM and anyone with an interest in multiscale modeling.

Program:

11.00 Arrival and Coffee
11.20 Maxim Fedorov, University of Strathclyde
Theory of Molecular Liquids and Computational Biomolecular Design: predicting the solvation behaviour of drug-like molecules and pollutants
12.10 Herma Cuppen, Radboud University Nijmegen
Long-timescale simulations of diffusion in molecular solids
13.00 Lunch
14.00 Laura Orian, University of Padova
Rh(I) half-sandwich complexes: an insight into their structure and catalytic activity in [2+2+2] cycloadditions of alkynes through Density Functional Theory calculations
14.50 David Swenson, University of Amsterdam
A Classical Model for Nonequilibrium Quantum Transport: The Dynamics for Classically Mapped Fermions Method
15.30 Tea Break
16.00 Oleg Gritsenko, VU University Amsterdam
New developments in Density Matrix Functional Theory
16.40 Davide Branduardi, MPI Biophysics, Frankfurt
Understanding conformational transitions through string method: the ATP-Mg case
17.30 Closing followed by drinks