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Dr. Mark Tuckerman

Professor of Chemistry And Mathematics

New York University

Research Summary

Nuclear quantum effects: Development and application of path integral molecular dynamics to study nuclear quantum effects in liquids and of small nanoconfined molecules. Anion exchange membrane fuel Cells: Discovery of design principles for polymeric materials exhibiting high hydroxide conductivity. Large time-step molecular dynamics: New resonance-free multiple time-step algorithms. Enhanced sampling: New methods for exploring and generating multidimensional free energy surfaces. Crystal structure prediction: Development of algorithms and software tools for finding and ranking polymorphs of molecular crystals.

Research Topics




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