Nick Mayhall was born and raised in Indiana, earning a B.S. in Chemistry from the University of Southern Indiana in 2006. He then moved to Bloomington to pursue a Ph.D. in theoretical chemistry at IU in Krishnan Raghavachari’s lab, working on modeling transition metal spectroscopy and developing new theoretical methods for simulating large molecular systems. After his Ph.D. in 2011, Prof. Mayhall moved to UC Berkeley as a postdoctoral scholar in Martin Head-Gordon’s group. Here, Prof. Mayhall worked on developing new computational methods for modeling strongly correlated molecular systems. In 2015, Prof. Mayhall began his independent career as an Assistant Professor in Chemistry at Virginia Tech, where he was awarded both an NSF CAREER and Alfred P. Sloan Fellowship. He received tenure in 2021 and was promoted to Full Professor in 2025. His group will move to Indiana University in the Fall of 2025.
The Mayhall Group works at the intersection of computational chemistry and quantum information science and algorithms, developing new techniques for simulating chemical systems on quantum computers as well as using new insights from quantum information science to design improved ways to simulate chemistry on classical computers.