Presentation Topic
Crystal Math: Rapid prediction of molecular crystal structures using data-derived topological and simple physical descriptors
Research Focus
Mark Tuckerman obtained his B.S. in physics from the University of California at Berkeley in 1986 and his Ph.D. from Columbia University in 1993, working in the group of Bruce J. Berne. From 1993-1994, he held an IBM postdoctoral fellowship at the IBM Forschungslaboratorium in Rüschlikon, Switzerland in the computational physics group of Michele Parrinello. From 1995-1996, he held an NSF postdoctoral fellowship in Advanced Scientific Computing at the University of Pennsylvania in the group of Michael L. Klein. He is currently Professor of
Chemistry, Physics, and Mathematics at New York University. His research program spans a variety of topics including development of free-energy based enhanced sampling tools for predicting the conformational equilibria of complex molecules, exploration of structure and polymorphism in molecular crystals, simulation studies of electrolyte liquids for clean energy applications, development of machine learning models for electronic structure theory and statistical mechanics applications, and path-integral methods for quantum dynamics. Honors and awards include the Japan Society for the Promotion of Science Fellowship, the Friedrich Wilhelm Bessel Research Award from the Alexander von Humboldt Foundation, the Camille Dreyfus Teacher-Scholar Award, an NSF CAREER Award, and the NYU Golden Dozen Teaching Excellence Award, the Andreas C. Albrecht Lectureship from Cornell University, the Kennedy Lectureship from Washington University, the Institute Lectureship from the Indian Institute of Technology, Kanpur, where he is now Distinguished Visiting Professor, election as a Fellow of the AAAS, a Dreyfus award for Machine Learning in the Chemical Sciences and Engineering, an Einstein Fellowship from the Einstein Stiftung Berlin, a CNRS Fellowship, and the Linett Professorship from the University of Cambridge. He is the Principal Investigator of the Simons Center for Computational Physical Chemistry at New York University and former Chair of the Department of Chemistry at NYU.
