Department of
Chemistry
Columbia University
New York,
[ Main Page | Professor Berne | Research | Group | Alumni/ae | Publications | Cool Links ]
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WELCOME |
Welcome to the Berne Group's Web
site. This site is intended to make our research publications and results
available to the internet community. We hope you find it useful.
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RESEARCH OVERVIEW |
Our research
focuses on understanding structural and dynamical processes in condensed matter
and biophysical systems. Because we study many-body systems, it is necessary to
utilize the powerful analytical methods of equilibrium and time-dependent
quantum statistical mechanics as well as state-of-the art computer simulation
methods such as molecular dynamics and quantum Monte-Carlo techniques. One
important aspect of our research is the invention of new simulation methods.
Recent work along these lines is our invention of a novel multiple time scale
method in molecular dynamics and its application to the simulation of
biomacromolecules and molecular crystals of fullerenes. Another important
activity involves the invention of new dynamical fluctuating charge force
fields for complex molecular assemblies.
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This page was created and is maintained by Dan Gezelter. |