ME 697R Lecture 5.5A: First Principles Method - Development of Empirical Interatomic Potentials using DFT I
ME 697R Lecture 5.5A: First Principles Method - Development of Empirical Interatomic Potentials using DFT I
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1. Lecture 5.5: Development of Em…
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2. Topics and Readings
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3. Availability of Interatomic Po…
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4. Basics of Potential Developmen…
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5. Limitation of the Conventional…
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6. Total Energy in DFT Calculatio…
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7. Total Energy in Lattice Dynami…
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8. First Step : Select Potential …
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9. Fitting Technique and Weightin…
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10. Conventional Fitting Methodolo…
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11. Potential Energy Surface
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