David A. Kofke

David A. Kofke is a SUNY Distinguished Professor in the Department of Chemical and Biological Engineering at the University at Buffalo, School of Engineering and Applied Sciences. His research focuses on molecular simulation, statistical physics, and software engineering for scientific applications.

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

Prof. Kofke’s work centers on developing advanced molecular simulation methods, particularly for free-energy calculations and virial coefficients. He integrates these techniques with density-functional theory and object-oriented software engineering to enhance precision in thermodynamic modeling and education.

His research portfolio includes mapped averaging, anharmonic crystal properties, and machine learning for thermophysical data. Recent publications emphasize virial equations of state, polymer simulations, and educational software frameworks like Etomica.

Notable awards include the Presidential Young Investigator Award (1990), SUNY Chancellor’s Excellence Awards in Teaching (1994) and Research (2004), and the John M. Prausnitz Award (2004). He served as Chair of CBE (2006–2012) and CACHE President (2010–2012).

Current leadership roles include Associate Editor of the Journal of Chemical & Engineering Data and Fellow of AIChE (2014) and AAAS (2015).