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1. Development Of A Reaxff Reactive Force Field For Titanium Dioxide/ Water Systems And Its Applications To Etching, Nanoparticles With Organic Solvents And Ion Adsorptions On Nanocrystalline Surfaces

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Open Access

2. Development and Application of the ReaxFF Potential for Heterogeneous Catalysis and Metal Oxidation: Toward the Dynamic Sampling of Large Free Energy Surface

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Open Access

3. Reactive Molecular Dynamics Simulations of Lithium Secondary Batteries - Interfaces and Electrodes

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Open Access

4. Applications of the ReaxFF reactive force field towards chemomechanical and electrocatalytic systems

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Open Access

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

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Open Access

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

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Open Access