Kevin Koh
Kevin Koh
Подтвержден адрес электронной почты в домене
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), 024109, 2020
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
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), 084103, 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
ET; Sun, C.; Sun, S
Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ...
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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
Compressing physical properties of atomic species for improving predictive chemistry
JE Herr, K Koh, K Yao, J Parkhill
arXiv preprint arXiv:1811.00123, 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
Development of RT-TDDFT for the Interaction with the Explicit Solvent and for Correct Description of Excitation Process
K Koh
University Of Notre Dame, 2020
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Статьи 1–9