David A. Kofke
Distinguished Professor
Departments of Chemical and Biological Engineering
Suny Buffalo Schools of Medicine and Engineering
United States of America
Biography
Dr. David A. Kofke pursuit her Bachelor degree in Chemical Engineering from Carnegie Mellon University in the year 1983. He completed his Ph.D. degree in the year 1988 in Chemical Engineering from University of Pennsylvania. He started his career as Visiting Researcher, FOM Institute for Atomic and Molecular Physics; The Netherlands. He became Assistant Professor in University of Buffalo in the year 1989-1994. Later he became Co-chair, UB Department of Biomedical Engineering in the year 2010-2012. He is currently working as a SUNY Distinguished Professor. During his course of study he has achieved various awards and has done many Professional service.
Research Interest
Object-oriented programming in molecular simulation, Effect of entropy on polymorphism,Evaluation of cluster integrals by molecular simulation, Understanding free-energy calculations
Publications
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Subramanian R, Schultz AJ, Kofke DA (2017) Direct orientation sampling of diatomic molecules for path integral Monte Carlo calculation of fully quantum virial coefficients. J Chem Phys 146: 094105.
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Moustafa SG, Schultz AJ, Kofke DA Harmonically Assisted Methods for Computing the Free Energy of Classical Crystals by Molecular Simulation: A Comparative Study. J Chem Theory Comput 13: 825-834.
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Yang S, Schultz AJ, Kofke DA (2017) Evaluation of second and third dielectric virial coefficients for non-polarisable molecular models. Mol Phys 115: 991-1003.
