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Zhao Li (李昭)
Zhao Li (李昭)
Postdoc, Purdue University
Подтвержден адрес электронной почты в домене u.northwestern.edu - Главная страница
Название
Процитировано
Процитировано
Год
Separation of aromatic hydrocarbons in porous materials
KB Idrees, Z Li, H Xie, KO Kirlikovali, M Kazem-Rostami, X Wang, X Wang, ...
Journal of the American Chemical Society 144 (27), 12212-12218, 2022
822022
Fingerprinting diverse nanoporous materials for optimal hydrogen storage conditions using meta-learning
Y Sun, RF DeJaco, Z Li, D Tang, S Glante, DS Sholl, CM Colina, RQ Snurr, ...
Science Advances 7 (30), eabg3983, 2021
732021
MOFX-DB: An online database of computational adsorption data for nanoporous materials
NS Bobbitt, K Shi, BJ Bucior, H Chen, N Tracy-Amoroso, Z Li, Y Sun, ...
Journal of Chemical & Engineering Data 68 (2), 483-498, 2023
492023
Engineering metal–organic frameworks for selective separation of hexane isomers using 3-dimensional linkers
CS Smoljan, Z Li, H Xie, CJ Setter, KB Idrees, FA Son, F Formalik, ...
Journal of the American Chemical Society 145 (11), 6434-6441, 2023
392023
Two-dimensional energy histograms as features for machine learning to predict adsorption in diverse nanoporous materials
K Shi, Z Li, DM Anstine, D Tang, CM Colina, DS Sholl, JI Siepmann, ...
Journal of Chemical Theory and Computation 19 (14), 4568-4583, 2023
362023
Machine learning using host/guest energy histograms to predict adsorption in metal–organic frameworks: Application to short alkanes and Xe/Kr mixtures
Z Li, BJ Bucior, H Chen, M Haranczyk, JI Siepmann, RQ Snurr
The Journal of Chemical Physics 155 (1), 2021
312021
Computational investigation of hysteresis and phase equilibria of n-alkanes in a metal-organic framework with both micropores and mesopores
Z Li, J Turner, RQ Snurr
Communications Chemistry 6 (1), 90, 2023
72023
Efficient implementation of Monte Carlo algorithms on graphical processing units for simulation of adsorption in porous materials
Z Li, K Shi, D Dubbeldam, M Dewing, C Knight, Á Vázquez-Mayagoitia, ...
Journal of Chemical Theory and Computation 20 (23), 10649-10666, 2024
32024
Using Computer-Based “Experiments” in the Analysis of Chemical Reaction Equilibria
Z Li, DS Corti
Journal of Chemical Education 95 (5), 767-776, 2018
32018
RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids
YA Ran, S Sharma, SRG Balestra, Z Li, S Calero, TJH Vlugt, RQ Snurr, ...
The Journal of Chemical Physics 161 (11), 2024
22024
Combining Data Science, Computer Science, and Statistical Mechanics for the Discovery of Metal-Organic Frameworks
Z Li
Northwestern University, 2023
22023
Monte Carlo simulations in the isothermal-isobaric ensemble: use of a ‘shell’particle for simulating polyatomic fluids
Z Li, DS Corti
Molecular Simulation 44 (17), 1461-1468, 2018
12018
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