Jonathan Allen

Jonathan received his BS in Chemistry from the University of Texas at San Antonio, where he focused on transition metal catalysis in Dr. Doug Frantz’s laboratory. He is now a PhD student in theoretical chemistry at Boston University, working in the group of Dr. Qiang Cui. His current research centers on metalloenzymatic catalysis, combining hybrid quantum mechanics/molecular mechanics (QM/MM) simulations with the development of next-generation quantum chemical methods. In particular, he is exploring machine learning-accelerated approaches to the many-body expansion for accurate free energy simulations of complex biochemical systems