MOLECULAR SIMULATION & MUTISCALE MODELING

 

Many biological, physical, and chemical processes are governed by phenomena spanning many orders of magnitude in their characteristic length and timescales. Research in our group is focused on I) developing tools to study multiscale systems and II) application to solving problems of practical interest. Glucose

Representative examples include:

– Computational enzymology
– Enhanced sampling methods
– Molecular modeling and simulation
– Coarse-grained modeling of biomaterials and polymers