Xiao-jie Zhang

State Key Laboratory Of Porous Materials For Separation And Conversion, Shanghai Key Laboratory Of Molecular Catalysis And Innovative Materials, Key Laboratory Of Computational Physical Science
Shanghai, 200433, China

Last Updated: 09/26/2026

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Found 12 publications

Global Optimization of Large Molecular Systems Using Rigid-Body Chain Stochastic Surface Walking.

Global Optimization of Large Molecular Systems Using Rigid-Body Chain Stochastic Surface Walking.

Journal: Journal of chemical theory and computation

Published: May 27, 2025

Tracing the Change and Contribution of Subcutaneous Adipose to Skin Expansion Using a Luciferase-Transgenic Fat Transplantation Model.

Tracing the Change and Contribution of Subcutaneous Adipose to Skin Expansion Using a Luciferase-Transgenic Fat Transplantation Model.

Journal: Plastic and reconstructive surgery

Published: May 24, 2023

Auto-suppression of Tet dioxygenases protects the mouse oocyte genome from oxidative demethylation.

Auto-suppression of Tet dioxygenases protects the mouse oocyte genome from oxidative demethylation.

Journal: Nature structural & molecular biology

Published: March 09, 2023

Molecular mechanism for vitamin C-derived C5-glyceryl-methylcytosine DNA modification catalyzed by algal TET homologue CMD1.

Molecular mechanism for vitamin C-derived C5-glyceryl-methylcytosine DNA modification catalyzed by algal TET homologue CMD1.

Journal: Nature communications

Published: September 14, 2020

Crystal phase transition of urea: what governs the reaction kinetics in molecular crystal phase transitions.

Crystal phase transition of urea: what governs the reaction kinetics in molecular crystal phase transitions.

Journal: Physical chemistry chemical physics : PCCP

Published: November 29, 2017

Stochastic surface walking reaction sampling for resolving heterogeneous catalytic reaction network: A revisit to the mechanism of water-gas shift reaction on Cu.

Stochastic surface walking reaction sampling for resolving heterogeneous catalytic reaction network: A revisit to the mechanism of water-gas shift reaction on Cu.

Journal: The Journal of chemical physics

Published: October 23, 2017

Material discovery by combining stochastic surface walking global optimization with a neural network.

Material discovery by combining stochastic surface walking global optimization with a neural network.

Journal: Chemical science

Published: April 01, 2017

Pressure-induced silica quartz amorphization studied by iterative stochastic surface walking reaction sampling.

Pressure-induced silica quartz amorphization studied by iterative stochastic surface walking reaction sampling.

Journal: Physical chemistry chemical physics : PCCP

Published: January 28, 2017

Variable-cell double-ended surface walking method for fast transition state location of solid phase transitions.

Variable-cell double-ended surface walking method for fast transition state location of solid phase transitions.

Journal: Journal of chemical theory and computation

Published: November 18, 2015

Reaction sampling and reactivity prediction using the stochastic surface walking method.

Reaction sampling and reactivity prediction using the stochastic surface walking method.

Journal: Physical chemistry chemical physics : PCCP

Published: December 16, 2014

Double-Ended Surface Walking Method for Pathway Building and Transition State Location of Complex Reactions.

Double-Ended Surface Walking Method for Pathway Building and Transition State Location of Complex Reactions.

Journal: Journal of chemical theory and computation

Published: December 10, 2013

From Atoms to Fullerene: Stochastic Surface Walking Solution for Automated Structure Prediction of Complex Material.

From Atoms to Fullerene: Stochastic Surface Walking Solution for Automated Structure Prediction of Complex Material.

Journal: Journal of chemical theory and computation

Published: July 09, 2013

Showing 1-12 of 12

Last Updated: 09/26/2026