Nicholas J. Mayhall

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Yihan Shao, Zhengting Gan, Evgeny Epifanovsky et al. · Molecular Physics · 2014 · 3.1K citations

Program Package, Engineering, Theoretical Inorganic Chemistry +22

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng et al. · The Journal of Chemical Physics · 2021 · 1.3K citations · Full text

An adaptive variational algorithm for exact molecular simulations on a quantum computer

Harper R. Grimsley, Sophia E. Economou, Edwin Barnes et al. · Nature Communications · 2019 · 979 citations · Full text

Molecules-in-Molecules: An Extrapolated Fragment-Based Approach for Accurate Calculations on Large Molecules and Materials

Nicholas J. Mayhall, Krishnan Raghavachari · Journal of Chemical Theory and Computation · 2011 · 210 citations

Engineering, Molecular Biology, Computational Chemistry +19

Adaptive quantum approximate optimization algorithm for solving combinatorial problems on a quantum computer

Linghua Zhu, Ho Lun Tang, George S. Barron et al. · Physical Review Research · 2022 · 195 citations · Full text

Quantum Science, Standard Qaoa, Standard Qaoa Ansatz +14