Bionumerics Research Group

People

• Robert D. Skeel,  professor
• Roland Pulch ,  visiting scholar
• Ruijun Zhao,   post-doctoral associate
• Juanfang Shen,    research assistant

Projects

• numerical integrators for evolving molecular motion
    and why they work for such highly chaotic systems
• fastest N-body solvers (for molecular dynamics)
    and their application to accurate implicit solvent models
• algorithms for induced polarization and fluctuating charges
• methods for finding transition paths and calculating absolute free energy differences

Collaborators

• The Post Lab

List of Publications
 

Software

NAMD (Theoretical and Computational Biophysics Group at UIUC)
Hamiltonian solver with interpolated shadow Hamiltonians up to 24th order

Acknowledgments
This research is supported in part by the National Institutes of Health.
 

  Last updated 2008-5-22