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Energy Conservation in Adaptive Hybrid Atomistic/Coarse-Grain Molecular Dynamics

Bernd Ensing1, Steven O Nielsen1, Preston B Moore1

  • 1Department of Chemistry and Applied Biosciences, ETH Zurich USI-Campus, Via Giuseppe Buffi 13, Lugano, CH-6900 Switzerland, Department of Chemistry, University of Texas at Dallas, 2601 North Floyd Road, Richardson, Texas 75083-0688, Department of Chemistry and Biochemistry, University of the Sciences in Philadelphia, Philadelphia, Pennsylvania 19104, and Center for Molecular Modeling, Department of Chemistry, University of Pennsylvania, Philadelphia Pennsylvania 19104-6323.

Journal of Chemical Theory and Computation
|December 3, 2015
PubMed

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