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1. Atomistic-simulations of Silicate Glasses: Surface Water Reaction and Mechanochemical Wear Process

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2. Atomistic-Level Investigation for Selected Metal-based Catalytic Reactions Utilizing the REAXFF Reactive Force Field

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Open Access

3. STUDY OF REACTION DRIVEN PROCESSES USING MOLECULAR DYNAMICS: APPLICATIONS OF REAXFF FOR COMBUSTION CHEMISTRY AND MATERIAL SYNTHESIS

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4. Modeling and understanding surface/electrolyte interactions in MXene supercapacitors

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5. Development and application of the ReaxFF reactive force field method to ferroelectrics and crosslinked polyethylene

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Open Access