Calibration and Ranking of Coarse-grained Models in Molecular Simulations Using Bayesian Formalism
نویسندگان
چکیده
CALIBRATION AND RANKING OF COARSE-GRAINED MODELS IN MOLECULAR SIMULATIONS USING BAYESIAN FORMALISM Hadi Meidani,1,∗ Justin B. Hooper,2 Dmitry Bedrov,2 & Robert M. Kirby3 1Department of Civil and Environmental Engineering, 1211 Newmark Civil Engineering Laboratory, University of Illinois at Urbana-Champaign, Urbana, IL 61822, USA 2Department of Materials Science & Engineering, 206 Civil and Materials Engineering Building, University of Utah, Salt Lake City, UT 84112, USA 3School of Computing, 3750 Warnock Engineering Building, University of Utah, Salt Lake City, UT 84112, USA
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Acknowledgments Words cannot express my gratitude for the endless help and unfailing encouragement of those without whom I would not have accomplished this feat. I would like to thank my undergraduate advisor, Michael Holst, who believed in me before I did and offered me continuous advice and encouragement throughout my graduate career. I must also thank my committee, especially my advisors, J....
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