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Jiuyang Liang, Zhenli Xu, Yue Zhao
Jiuyang Liang, Jiaxing Yuan, Erik Luijten
Zecheng Gan, Ziwei Wang, Shidong Jiang

Rapid <em>in-silico</em> Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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