David Kofke receives prestigious AIChE honor for contributions in molecular modeling

By Peter Murphy

The prestigious award is presented to AIChE members who have made an outstanding contribution to chemical engineering literature.

Kofke, also the Walter E. Schmid Chair, is honored for his research on refining molecular modeling, which can provide data on the physical properties of materials and predict their behavior, but is time-consuming and computationally demanding. His findings have helped enhance efficiency for countless researchers.

“Dave is well known for developing creative solutions to challenging problems,” said Jeffrey Errington, professor and chair in the Department of Chemical and Biological Engineering. “He has had a significant and lasting impact on the molecular modeling community.”

Molecular models can describe the properties and behavior of materials, such as their boiling point or resistance to flow. Although more computationally complex, the models allow greater predictive power and provide a better fundamental understanding of materials than alternative methods.

Over the years, Kofke’s research interests have evolved from the study and application of abstract molecular models toward more detailed and accurate models—in part thanks to broad advances in quantum mechanics and machine-learning methods.

“Property prediction is critical to the efficient, safe, and economical design and control of manufacturing processes,” Kofke said. “The underlying motivation of my research is to make that capability better, faster and more reliable. Most of my work has been directed toward helping other researchers do their work better.”

Kofke, who joined UB in 1989, is the author of over 170 journal publications and has delivered or contributed to over 250 presentations. He is a fellow of the American Association for the Advancement of Science and AIChE, is the assistant editor of the Journal of Chemical & Engineering Data, and is a member of the editorial board of the journal, Molecular Physics.

Kofke will be presented with the award during the AIChE Annual Meeting in November.