Stefan Seritan

<scp>TeraChem</scp>: A graphical processing unit<scp>‐accelerated</scp> electronic structure package for <scp>large‐scale</scp> ab initio molecular dynamics

Stefan Seritan, Christoph Bannwarth, B. Scott Fales et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2020 · 291 citations · Full text

Engineering, Abstract Terachem, Electron Repulsion Integrals +21

TeraChem: Accelerating electronic structure and <i>ab initio</i> molecular dynamics with graphical processing units

Stefan Seritan, Christoph Bannwarth, B. Scott Fales et al. · The Journal of Chemical Physics · 2020 · 147 citations · Full text

Rank-reduction Techniques, Engineering, Physics +15

Scalable Randomized Benchmarking of Quantum Computers Using Mirror Circuits

Timothy Proctor, Stefan Seritan, Kenneth Rudinger et al. · Physical Review Letters · 2022 · 69 citations · Full text

Engineering, Computer Architecture, Quantum Computing +18

Substituent Effects in Mechanochemical Allowed and Forbidden Cyclobutene Ring-Opening Reactions

Cameron L. Brown, Brandon H. Bowser, Jan Meisner et al. · Journal of the American Chemical Society · 2021 · 64 citations · Full text

Rate-Enhancing Roles of Water Molecules in Methyltrioxorhenium-Catalyzed Olefin Epoxidation by Hydrogen Peroxide

Bryan R. Goldsmith, Taeho Hwang, Stefan Seritan et al. · Journal of the American Chemical Society · 2015 · 46 citations

Advanced Oxidation Process, Chemical Engineering, Engineering +15