Kaihang Shi

MOFX-DB: An Online Database of Computational Adsorption Data for Nanoporous Materials

N. Scott Bobbitt, Kaihang Shi, Benjamin J. Bucior et al. · Journal of Chemical & Engineering Data · 2023 · 87 citations · Full text

Online Database, Engineering, Machine Learning +26

Dissipative particle dynamics study of the water/benzene/caprolactam system in the absence or presence of non-ionic surfactants

Kaihang Shi, Cheng Lian, Zhishan Bai et al. · Chemical Engineering Science · 2014 · 82 citations

Non-ionic Surfactants, Chemical Engineering, Molecular Kinetics +13

The Young–Laplace equation for a solid–liquid interface

Pablo Montero de Hijes, Kaihang Shi, Eva G. Noya et al. · The Journal of Chemical Physics · 2020 · 64 citations · Full text

Exploring the Structural, Dynamic, and Functional Properties of Metal‐Organic Frameworks through Molecular Modeling

Filip Formalik, Kaihang Shi, Faramarz Joodaki et al. · Advanced Functional Materials · 2023 · 63 citations · Full text

Functional Properties, Engineering, Material Simulation +23

A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges

Kaihang Shi, Edward R. Smith, Erik E. Santiso et al. · The Journal of Chemical Physics · 2023 · 60 citations · Full text

High Hydrostatic Pressure, Engineering, Multiscale Mechanics +21