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From Predictive Chemistry
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Revision as of 15:13, 23 September 2013
- Jaydeep Bardhan - proteins and boundary element methods
- U Complutense Statistical Mechanics Group - dispersion and nonequilibrium systems
- Thomas L Beck Research Group - density functional theory, fundamental thermochemistry of electrolyte solutions and interfaces
- Gerald Jay Sussman - a modern-day counterpart to Von Neumann, but focusing on functional computer science
- Michael Shirts - statistical mechanics, drug docking, and free energy methods
- Alejandro Rodriguez - numerical computation of Casimir forces
- Gerhard Hummer - free energy, nonequilibrium transport and density methods
- Sandeep Patel - Advanced hybrid computational methods for protein-protein, protein-membrane interactions in crowded cellular environments.
- Markus Deserno Membrane biophysics and coarse-grained simulations with (molecular) Espresso.
- Daniel Zuckerman - (massively) Enhanced Sampling for Statistical Simulations
