David Kofke

Dr. David Kofke is a SUNY Distinguished Professor in the Department of Chemical and Biological Engineering at the School of Engineering and Applied Sciences, University at Buffalo. He holds the Walter E. Schmid Chair and has been a faculty member since 1989. His research focuses on molecular simulation, free-energy calculations, and the development of object-oriented software for education.

• Education
  • PhD in Chemical Engineering, University of Pennsylvania (1988)
  • BS in Chemical Engineering, Carnegie-Mellon University (1983)

Dr. Kofke’s research interests span statistical physics, molecular modeling, and software engineering, with a focus on virial coefficients, crystal-phase calculations, and simulation method development. His work bridges theoretical and applied chemistry, emphasizing computational efficiency and accuracy.

The 15 most recent articles highlight his expertise in virial equations of state, molecular simulation methods, and thermophysical data analysis. Topics include quantum fluids, polymer thermodynamics, and machine learning integration, reflecting his commitment to advancing computational chemistry through interdisciplinary approaches.

• Scientific Awards
  • Presidential Young Investigator (1990)
  • SUNY Chancellor’s Excellence in Teaching (1994)
  • John M. Prausnitz Award (2012)
  • Jacob F. Schoellkopf Medal (2007)
  • Himmelblau Award (2012)
  • AIChE Fellow (2014)
  • AAAS Fellow (2015)

Dr. Kofke has served as Associate Editor of the Journal of Chemical & Engineering Data since 2016 and led CACHE as President (2010-2012). His software development includes the Etomica simulation framework and the pyHMA post-processor for anharmonic properties.