Nicholas Mayhall

Nicholas J. Mayhall is an Associate Professor in the Department of Chemistry at Virginia Tech, affiliated with the College of Science. His research focuses on computational and quantum chemistry, particularly in developing novel quantum algorithms for molecular simulations and renewable energy applications. He holds a B.S. from the University of Southern Indiana (2006), a Ph.D. from Indiana University (2011), and completed a postdoc at UC Berkeley (2011–2015).

Research Interests: Quantum computing methods, tensor product wavefunctions, adaptive variational algorithms (e.g., ADAPT-VQE), and strongly correlated systems. He leads the Mayhall Group, which contributes to software tools like FermiCG and CtrlQ for quantum chemistry simulations.

Awards: Alfred P. Sloan Research Fellow (2021), NSF CAREER Award (2018), and ACS Postdoctoral Research Award (2014). His group includes 10+ graduate students/postdocs working on quantum algorithms, molecular dynamics, and quantum hardware optimization.