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1. THERMODYNAMIC PROPERTIES OF MG BASED ALLOYS BY CALPHAD APPROACH COUPLED WITH FIRST-PRINCIPLES: APPLICATION TO MG-AL-CA-CE-SI SYSTEM

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2. A FIRST-PRINCIPLES METHODOLOGY FOR DIFFUSION COEFFICIENTS IN METALS AND DILUTE ALLOYS

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3. A first-principles study of elastic and diffusion properties of Magnesium based alloys

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4. First-principles Thermodynamics of Phase Transition: from Metal to Oxide

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

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6. Heat Transport in Semiconducting Metalattices

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Open Access