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

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

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3. Developing eReaxFF Force Fields for Peroxide and Radical Chemistry in the Contexts of Polymer Dielectric Breakdown and Oxidative Damage Induced by Reactive Oxygen Species

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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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6. Reaxff And eReaxff Reactive Force Field Development And Applications To Energy Storage Interfaces

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Open Access