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Cho E.H.
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2019
Computational discovery of nanoporous materials for energy- and environment-related applications
Cho E.H.; Lyu Q.; Lin L.-C.; LI-CHIANG LIN
Molecular Simulation
2020
Efficient and Accurate Charge Assignments via a Multilayer Connectivity-Based Atom Contribution (m-CBAC) Approach
Zou C.; Penley D.R.; Cho E.H.; Lin L.-C.; LI-CHIANG LIN
Journal of Physical Chemistry C
2019
Electrostatic Potential Optimized Molecular Models for Molecular Simulations: CO, CO2, COS, H2S, N2, N2O, and SO2
Cho E.H.; Lin L.-C.; LI-CHIANG LIN
Journal of Chemical Theory and Computation
2020
Machine learning-aided computational study of metal-organic frameworks for sour gas sweetening
Cho E.H.; Deng X.; Zou C.; Lin L.-C.; LI-CHIANG LIN
Journal of Physical Chemistry C
2021
Nanoporous Material Recognition via 3D Convolutional Neural Networks: Prediction of Adsorption Properties
Cho E.H.; Lin L.-C.; LI-CHIANG LIN
Journal of Physical Chemistry Letters
2018
Systematic molecular model development with reliable charge distributions for gaseous adsorption in nanoporous materials
Cho E.H.; Lin L.-C.; LI-CHIANG LIN
Journal of Materials Chemistry A
2019
Tuning molecular structure of tertiary amine catalysts for glucose isomerization
Deshpande N.; Cho E.H.; Spanos A.P.; Lin L.-C.; Brunelli N.A.; LI-CHIANG LIN
Journal of Catalysis