Center for Molecular Modeling
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Welcome to the homepage of the Michael L. Klein group.
We apply principles from quantum mechanics and statistical thermodynamics
to model molecular phenomena with computer simulations. We use existing
software to perform ab initio/density functional theory electronic
structure calculations, classical molecular dynamics and Car-Parrinello
dynamics simulations. We also develop new techniques and program code
for specific complex problems, for example to enhance sampling of so-called
rare events and for coarse grain modeling of meso-scale biophysical
applications. Our simulations help interpret experimental results and
gain understanding from a microscopic perspective.
Homepage of Professor Michael L. Klein Group meetings schedule Selected photos of the Klein Group |
Michael L. Klein FestschriftJ. Phys. Chem. B, Vol. 110, No. 8
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3rd CMM Workshop on QM/MM SimulationsAug 21 - Aug 23 2008 in Philadelphia
Workshop Details and Program |