Kaihang Shi

Years Active: 2018-2023
Publications (10 Years): 6

North Carolina State University (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

North Carolina State University - Jul 28o 2020

United States

PHD :: Department of Chemical and Biomolecular Engineering

Publications

Kaihang Shi, Zhao Li, Dylan M Anstine, Dai Tang, Coray M Colina, David S Sholl, J Ilja Siepmann, Randall Q Snurr
Two-Dimensional Energy Histograms as Features for Machine Learning to Predict Adsorption in Diverse Nanoporous Materials. Journal of chemical theory and computation (2023)
Kaihang Shi, Edward Ronald Smith, Erik E Santiso, Keith E Gubbins
A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges. The Journal of chemical physics 158 (4) (2023)
Kaihang Shi, Yifan Shen, Erik E Santiso, Keith E Gubbins
Microscopic Pressure Tensor in Cylindrical Geometry: Pressure of Water in a Carbon Nanotube. Journal of chemical theory and computation 16 (9) (2020)
Kaihang Shi, Erik E Santiso, Keith E Gubbins
Conformal Sites Theory for Adsorbed Films on Energetically Heterogeneous Surfaces. Langmuir : the ACS journal of surfaces and colloids 36 (7) (2020)
Kaihang Shi, Erik E Santiso, Keith E Gubbins
Bottom-Up Approach to the Coarse-Grained Surface Model: Effective Solid-Fluid Potentials for Adsorption on Heterogeneous Surfaces. Langmuir : the ACS journal of surfaces and colloids 35 (17) (2019)
Kaihang Shi, Kai Gu, Yifan Shen, Deepti Srivastava, Erik E Santiso, Keith E Gubbins
High-density equation of state for a two-dimensional Lennard-Jones solid. The Journal of chemical physics 148 (17) (2018)

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