David Kastner

David W. Kastner is a computational chemist and bioengineer whose work focuses on atomistic simulation of enzyme mechanism, active-site structure, and molecular transformation. He received his PhD in Bioengineering from MIT, where he worked with Heather J. Kulik and Forest White on computational enzymology, multiscale active-site modeling, high-throughput simulation workflows, and materials design. He earned his BS in Biophysics from Brigham Young University, graduating summa cum laude and delivering the valedictorian address. David has received numerous fellowships and awards, including the NSF Graduate Research Fellowship, MIT Whitehead Fellowship, Sloan Fellowship, Siebel Scholars Fellowship, and the ACS Chemical Computing Group Research Excellence Award among many others. He has co-authored over 30 peer-reviewed publications. He recently left an AI startup as a founding engineer where he was developing a next-generation platform for machine learning-guided workflows for enzyme-reaction modeling, multiscale molecular simulation, learned potentials, and high-throughput computational chemistry.