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Kaihang Shi
Kaihang Shi
Assistant Professor of Chemical and Biological Engineering, University at Buffalo
E-mailová adresa ověřena na: buffalo.edu - Domovská stránka
Název
Citace
Citace
Rok
Dissipative particle dynamics study of the water/benzene/caprolactam system in the absence or presence of non-ionic surfactants
K Shi, C Lian, Z Bai, S Zhao, H Liu
Chemical Engineering Science 122, 185-196, 2015
892015
The Young–Laplace equation for a solid–liquid interface
P Montero de Hijes, K Shi, EG Noya, EE Santiso, KE Gubbins, E Sanz, ...
The Journal of Chemical Physics 153 (19), 2020
552020
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
522023
A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges
K Shi, ER Smith, EE Santiso, KE Gubbins
The Journal of Chemical Physics 158 (4), 2023
402023
Fabrication of a freestanding metal organic framework predominant hollow fiber mat and its potential applications in gas separation and catalysis
Z Dai, DT Lee, K Shi, S Wang, HF Barton, J Zhu, J Yan, Q Ke, GN Parsons
Journal of Materials Chemistry A 8 (7), 3803-3813, 2020
392020
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
352023
Exploring the Structural, Dynamic, and Functional Properties of Metal‐Organic Frameworks through Molecular Modeling
F Formalik, K Shi, F Joodaki, X Wang, RQ Snurr
Advanced Functional Materials 34 (43), 2308130, 2024
292024
Bottom-up approach to the coarse-grained surface model: Effective solid–fluid potentials for adsorption on heterogeneous surfaces
K Shi, EE Santiso, KE Gubbins
Langmuir 35 (17), 5975-5986, 2019
272019
Modified gaphene oxide (GO) particles in peptide hydrogels: a hybrid system enabling scheduled delivery of synergistic combinations of chemotherapeutics
JD Schneible, K Shi, AT Young, S Ramesh, N He, CE Dowdey, ...
Journal of Materials Chemistry B 8 (17), 3852-3868, 2020
252020
Designing intrinsically microporous polymer (pim-1) microfibers with tunable morphology and porosity via controlling solvent/nonsolvent/polymer interactions
S Wang, K Shi, A Tripathi, U Chakraborty, GN Parsons, SA Khan
ACS Applied Polymer Materials 2 (6), 2434-2443, 2020
232020
Current advances in characterization of nano-porous materials: Pore size distribution and surface area
K Shi, EE Santiso, KE Gubbins
Porous Materials: Theory and Its Application for Environmental Remediation …, 2021
212021
Can we define a unique microscopic pressure in inhomogeneous fluids?
K Shi, EE Santiso, KE Gubbins
The Journal of Chemical Physics 154 (8), 2021
202021
Microscopic pressure tensor in cylindrical geometry: Pressure of water in a carbon nanotube
K Shi, Y Shen, EE Santiso, KE Gubbins
Journal of Chemical Theory and Computation 16 (9), 5548-5561, 2020
192020
Coarse-grained simulation of polycation/DNA-like complexes: role of neutral block
B Zhan, K Shi, Z Dong, W Lv, S Zhao, X Han, H Wang, H Liu
Molecular Pharmaceutics 12 (8), 2834-2844, 2015
192015
Water-accelerated transport: vapor-phase nerve agent simulant delivery within a catalytic zirconium metal–organic framework as a function of relative humidity
R Wang, K Shi, J Liu, RQ Snurr, JT Hupp
Journal of the American Chemical Society 145 (25), 13979-13988, 2023
172023
Surface-driven high-pressure processing
KE Gubbins, K Gu, L Huang, Y Long, JM Mansell, EE Santiso, K Shi, ...
Engineering 4 (3), 311-320, 2018
142018
Packing density, homogeneity, and regularity: Quantitative correlations between topology and thermoresponsive morphology of PNIPAM-co-PAA microgel coatings
C Cutright, Z Brotherton, L Alexander, J Harris, K Shi, S Khan, J Genzer, ...
Applied Surface Science 508, 145129, 2020
132020
Conformal sites theory for adsorbed films on energetically heterogeneous surfaces
K Shi, EE Santiso, KE Gubbins
Langmuir 36 (7), 1822-1838, 2020
112020
Reply to the ‘Comment on “Pressure enhancement in carbon nanopores: a major confinement effect”’by D. van Dijk, Phys. Chem. Chem. Phys., 2020, 22
Y Long, JC Palmer, B Coasne, K Shi, M Śliwińska-Bartkowiak, ...
Physical Chemistry Chemical Physics 22 (17), 9826-9830, 2020
112020
High-density equation of state for a two-dimensional Lennard-Jones solid
K Shi, K Gu, Y Shen, D Srivastava, EE Santiso, KE Gubbins
The Journal of Chemical Physics 148 (17), 2018
112018
Systém momentálně nemůže danou operaci provést. Zkuste to znovu později.
Články 1–20