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Publications by Aize Li

Ab Initio Molecular Dynamics Simulation of Na-Doped Aluminosilicate Glasses and Glass-Water Interaction

English

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Ab Initio Molecular Dynamics Study of 45S5 Bioactive Silicate Glass

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Formation of N-Doped C60 Studied by Ab Initio Molecular Dynamics Simulations

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Action-Derived Ab Initio Molecular Dynamics

International Journal of Applied Mechanics

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Time-Reversible Ab Initio Molecular Dynamics

Journal of Chemical Physics

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Exploring Non-Adiabaticity to CO Reduction Reaction Through Ab Initio Molecular Dynamics Simulation

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Ab Initio Molecular Dynamics With Quantum Monte Carlo

Frontiers in Materials

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Ab-Initio Molecular Dynamics Study on Impurities and Defects.

Bulletin of the Japan Institute of Metals

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Effects of Water Intercalation and Tribochemistry on MoS2 Lubricity: An Ab Initio Molecular Dynamics Investigation

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Ab Initio Molecular Dynamics Calculations of Ion Hydration Free Energies

Journal of Chemical Physics

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