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Mark Tuckerman

Mark Tuckerman obtained his Ph.D. in physics from Columbia University in 1993. From 1993--1994, he was an IBM postdoctoral fellow at the IBM Forschungslaboratorium in RAschlikon, Switzerland, and from 1995--1996, he held an NSF Postdoctoral Fellowship in Advanced Scientific Computing at the University of Pennsylvania. He is currently Professor of Chemistry and Mathematics at New York University. His research interests include ab initio molecular dynamics studies of the transport of charge defects in water and phosphoric acid, development of efficient path integral molecular dynamics methods, which he has applied in studies of proton and hydroxide transport, and development of enhanced sampling techniques for studying polymorphism in molecular crystals, for predicting conformational equilibria, and for mapping multidimensional free energy landscapes of complex molecules.

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New York University

 


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MM9.02 - On the Use of Enhanced Sampling and Free Energy Generation Techniques in the Prediction of Structure and Polymorphism in Molecular Crystals 
Date/Time:
April 9, 2015   10:45am - 11:15am
 
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