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1. A computational study of the effects of alloying elements on the thermodynamic and diffusion properties of Mg alloys

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2. Development of a knowledge base of Ti-alloys from first-principles and thermodynamic modeling

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Open Access

3. Study of phase equilibria and defect chemistry of the Cu-Zn-Sn-S system from first-principles and computational thermodynamics towards photovoltaic applications

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Open Access

4. Quantum–Continuum Modeling of Electrodeposition

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5. Understanding the pseudocapacitive response of transition metal oxide and carbide electrodes

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6. The Acetophenone Radical Anion: A Computational Investigation of Preferred Geometries

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Open Access