| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 686 | 2021 |
| Recent developments in the PySCF program package Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ... The Journal of chemical physics 153 (2), 2020 | 645 | 2020 |
| ET; Sun, C.; Sun, S Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ... N, 0 | 61 | |
| Black-box, real-time simulations of transient absorption spectroscopy TS Nguyen, JH Koh, S Lefelhocz, J Parkhill The Journal of Physical Chemistry Letters 7 (8), 1590-1595, 2016 | 39 | 2016 |
| Compressing physics with an autoencoder: Creating an atomic species representation to improve machine learning models in the chemical sciences JE Herr, K Koh, K Yao, J Parkhill The Journal of chemical physics 151 (8), 2019 | 31 | 2019 |
| Accelerating realtime TDDFT with block-orthogonalized Manby–Miller embedding theory KJ Koh, TS Nguyen-Beck, J Parkhill Journal of chemical theory and computation 13 (9), 4173-4178, 2017 | 23 | 2017 |
| A phosphine-mediated dearomative skeletal rearrangement of dianiline squaraine dyes EP Bacher, KJ Koh, AJ Lepore, AG Oliver, O Wiest, BL Ashfeld Organic letters 23 (8), 2853-2857, 2021 | 6 | 2021 |
| Compressing physical properties of atomic species for improving predictive chemistry JE Herr, K Koh, K Yao, J Parkhill arXiv preprint arXiv:1811.00123, 2018 | 1 | 2018 |
| Automated Fitting of Transition State Force Fields for Biomolecular Simulations O Wiest, TR Quinn, H Patel, P Helquist, PO Norrby, KJ Koh, BE Haines | | 2020 |
| Development of RT-TDDFT for the Interaction with the Explicit Solvent and for Correct Description of Excitation Process KJ Koh University of Notre Dame, 2020 | | 2020 |
