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Zhao Li

8PUBLICATIONS

30CO-AUTHORS

Structure and dynamics of materialsProcedural content generationCatalysis and mechanisms of reactionsExperimental methods in fluid flow, heat and mass transferFunctional materials

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Publications (8)

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|Jun 16, 2025

Understanding Pore Filling Processes and Adsorption/Desorption Hysteresis in Nanoporous Metal-Organic Frameworks: Insights from Grand Canonical Monte Carlo Simulations and Free Energy Calculations.

Zhao Li, Jake Turner, J Ilja Siepmann

|Nov 19, 2024

Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials.

Zhao Li, Kaihang Shi, David Dubbeldam

|Sep 16, 2024

RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids.

Y A Ran, S Sharma, S R G Balestra

|May 08, 2023

Computational investigation of hysteresis and phase equilibria of n-alkanes in a metal-organic framework with both micropores and mesopores.

Zhao Li, Jake Turner, Randall Q Snurr

|Mar 10, 2023

Engineering Metal-Organic Frameworks for Selective Separation of Hexane Isomers Using 3-Dimensional Linkers.

Courtney S Smoljan, Zhao Li, Haomiao Xie

|Feb 03, 2023

Two-Dimensional Energy Histograms as Features for Machine Learning to Predict Adsorption in Diverse Nanoporous Materials.

Kaihang Shi, Zhao Li, Dylan M Anstine

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Frequent Collaborators

8 joint publications

Randall Q Snurr

3 joint publications

J Ilja Siepmann

2 joint publications

Karam B Idrees

2 joint publications

Omar K Farha

2 joint publications

Haomiao Xie

2 joint publications

David Dubbeldam

2 joint publications

Kaihang Shi

2 joint publications

Timur Islamoglu

2 joint publications

Coray M Colina

2 joint publications

David S Sholl

Frequent Collaborators

8 joint publications

Randall Q Snurr

3 joint publications

J Ilja Siepmann

2 joint publications

Karam B Idrees

2 joint publications

Omar K Farha

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