Project Details
Projekt
Probing scales in equilibrated systems by optimal nonequilibrium forcing (A05)
Subject Area
Mathematics
Term
since 2014
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 235221301
The project is concerned with rare events in molecular simulations. One of the key conceptual insights is that rare event simulation and free energy calculation for molecules admit variational formulations that often can be recast as stochastic optimal control problems. Turning these variational formulations into robust computational methods that are applicable to large-scale molecular processes, such as protein activation processes, is the central goal of this project.
DFG Programme
Collaborative Research Centres
Subproject of
SFB 1114:
Scaling Cascades in Complex Systems
Applicant Institution
Freie Universität Berlin
Project Heads
Professor Dr. Carsten Hartmann; Professorin Dr. Susanna Röblitz, from 7/2018 until 8/2018; Professor Dr. Christof Schütte; Privatdozent Dr. Marcus Weber
