Nick Mayhall

Professor Nick Mayhall is a faculty member in the Department of Chemistry at Indiana University Bloomington, set to begin his role in Fall 2025. Prior to this, he served as an Assistant Professor at Virginia Tech since 2015, where he received tenure in 2021 and was promoted to Full Professor in 2025. His research focuses on computational chemistry and quantum information science, integrating quantum algorithms with classical simulations to advance molecular modeling techniques.

Education

• B.S. in Chemistry, University of Southern Indiana (2006)
• Ph.D. in Theoretical Chemistry, Indiana University Bloomington (2011), advised by Krishnan Raghavachari

Research Interests

The Mayhall Group bridges computational chemistry and quantum information science, developing methods to simulate chemical systems on quantum computers and improving classical computational techniques through quantum insights. Key subfields include:

• Quantum Computing
• Quantum Algorithms
• Molecular Simulation
• Theoretical Chemistry
• Strongly Correlated Systems
• Computational Chemistry

Scientific Awards

• NSF CAREER Award
• Alfred P. Sloan Fellowship

Professional Trajectory

After postdoctoral work at UC Berkeley under Martin Head-Gordon (2011–2015), Prof. Mayhall will transition his research group to Indiana University Bloomington in Fall 2025. His work emphasizes interdisciplinary approaches at the intersection of quantum information and chemical theory.