Kaihang Shi
Affiliations: | 2015-2020 | North Carolina State University, Raleigh, NC | |
| 2020- | Northwestern University, Evanston, IL |
Website:
https://kaihangshi.github.io/Google:
"Kaihang Shi"Parents
Sign in to add mentor| Keith E. Gubbins | grad student | 2015-2020 | NCSU |
| Erik E. Santiso | grad student | 2015-2020 | NCSU |
| Randall Q. Snurr | post-doc | 2020- | Northwestern (Chemistry Tree) |
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Publications
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| Li Z, Shi K, Dubbeldam D, et al. (2024) Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials. Journal of Chemical Theory and Computation |
| Son FA, Shi K, Snurr RQ, et al. (2024) Measuring Mass Transfer of -Hexane and 2-Chloroethyl Ethyl Sulfide in Sorbent/Polymer Fiber Composites Using a Volumetric Adsorption Apparatus. Acs Applied Materials & Interfaces. 16: 31534-31542 |
| Wang R, Shi K, Liu J, et al. (2023) Water-Accelerated Transport: Vapor-Phase Nerve Agent Simulant Delivery within a Catalytic Zirconium Metal-Organic Framework as a Function of Relative Humidity. Journal of the American Chemical Society. 145: 13979-13988 |
| Shi K, Li Z, Anstine DM, et al. (2023) Two-Dimensional Energy Histograms as Features for Machine Learning to Predict Adsorption in Diverse Nanoporous Materials. Journal of Chemical Theory and Computation |
| Shi K, Smith ER, Santiso EE, et al. (2023) A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges. The Journal of Chemical Physics. 158: 040901 |
| Shi K, Santiso EE, Gubbins KE. (2021) Can we define a unique microscopic pressure in inhomogeneous fluids? The Journal of Chemical Physics. 154: 084502 |
| Shi K, Shen Y, Santiso EE, et al. (2020) Microscopic Pressure Tensor in Cylindrical Geometry: Pressure of Water in a Carbon Nanotube. Journal of Chemical Theory and Computation |
| Long Y, Palmer JC, Coasne B, et al. (2020) Reply to the 'Comment on "Pressure enhancement in carbon nanopores: a major confinement effect"' by D. van Dijk, Phys. Chem. Chem. Phys., 2020, 22, DOI: 10.1039/C9CP02890K. Physical Chemistry Chemical Physics : Pccp |
| Schneible JD, Shi K, Young AT, et al. (2020) Modified gaphene oxide (GO) particles in peptide hydrogels: a hybrid system enabling scheduled delivery of synergistic combinations of chemotherapeutics. Journal of Materials Chemistry. B |
| Shi K, Santiso EE, Gubbins KE. (2020) Conformal Sites Theory for Adsorbed Films on Energetically Heterogeneous Surfaces. Langmuir : the Acs Journal of Surfaces and Colloids |