Relative Entropy and Optimization-Driven Coarse-Graining Methods in VOTCA

• S. Y. Mashayak,

  Affiliation Department of Mechanical Science and Engineering, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois, 61801, United States of America

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• Mara N. Jochum,

  Affiliation Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany

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• Konstantin Koschke,

  Affiliation Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany

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• N. R. Aluru,

  Affiliation Department of Mechanical Science and Engineering, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois, 61801, United States of America

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• Victor Rühle,

  Affiliation Department of Chemistry, University of Cambridge, Cambridge, United Kingdom

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• Christoph Junghans

  * E-mail: junghans@lanl.gov

  Affiliation Computer, Computational, and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, NM 87545, United States of America

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