| Quantum chemistry common driver and databases (QCDB) and quantum chemistry engine (QCEngine): Automation and interoperability among computational chemistry programs DGA Smith, AT Lolinco, ZL Glick, J Lee, A Alenaizan, TA Barnes, ... The Journal of chemical physics 155 (20), 2021 | 35 | 2021 |
| Stabilization of X–Au–X Complexes on the Au(111) Surface: A Theoretical Investigation and Comparison of X = S, Cl, CH3S, and SiH3S J Lee, JS Boschen, TL Windus, PA Thiel, DJ Liu The Journal of Physical Chemistry C 121 (7), 3870-3879, 2017 | 15 | 2017 |
| Coinage Metal–Sulfur Complexes: Stability on Metal (111) Surfaces and in the Gas Phase J Lee, TL Windus, PA Thiel, JW Evans, DJ Liu The Journal of Physical Chemistry C 123 (20), 12954-12965, 2019 | 12 | 2019 |
| Size dependence of S-bonding on (111) facets of Cu nanoclusters JS Boschen, J Lee, TL Windus, JW Evans, DJ Liu The Journal of Physical Chemistry C 120 (19), 10268-10274, 2016 | 12 | 2016 |
| Stability of M3S3 complexes on fcc M (111) surfaces: M= Au, Ag, Cu, and Ni DJ Liu, J Lee, TL Windus, PA Thiel, JW Evans Surface Science 676, 2-8, 2018 | 10 | 2018 |
| Sulfur adsorption on coinage metal (100) surfaces: propensity for metal–sulfur complex formation relative to (111) surfaces DJ Liu, PM Spurgeon, J Lee, TL Windus, PA Thiel, JW Evans Physical Chemistry Chemical Physics 21 (48), 26483-26491, 2019 | 9 | 2019 |
| Comparison of S-adsorption on (111) and (100) facets of Cu nanoclusters JS Boschen, J Lee, TL Windus, JW Evans, PA Thiel, DJ Liu The Journal of Chemical Physics 145 (16), 2016 | 9 | 2016 |
| Atomistic mechanisms of binary alloy surface segregation from nanoseconds to seconds using accelerated dynamics RB Garza, J Lee, MH Nguyen, A Garmon, D Perez, M Li, JC Yang, ... Journal of Chemical Theory and Computation 18 (7), 4447-4455, 2022 | 7 | 2022 |
| Atom-centered machine-learning force field package L Li, RA Ciufo, J Lee, C Zhou, B Lin, J Cho, N Katyal, G Henkelman Computer Physics Communications 292, 108883, 2023 | 3 | 2023 |
| All-in-one driver: What do groups 11 and 16 have in common? J Lee | | 2018 |
