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Home » Courses » Materials Science and Engineering » Atomistic Computer Modeling of Materials (SMA 5107) » Video Lectures » Lecture 8: Case Studies of DFT

Lecture 8: Case Studies of DFT

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Topics covered: Case Studies of DFT

Instructor: Prof. Nicola Marzari

Lecture 1: Introduction and Case Studies

Lecture 1: Introduction and...

Lecture 2: Potentials, Supercells, Relaxation, Methodology

Lecture 2: Potentials, Supe...

Lecture 3: Potentials 2

Lecture 3: Potentials 2

Lecture 5: First Principles Energy Methods

Lecture 5: First Principles...

Lecture 6: First Principles Energy Methods

Lecture 6: First Principles...

Lecture 7: Technical Aspects of Density Functional Theory

Lecture 7: Technical Aspect...

Now Playing

Lecture 8: Case Studies of DFT

Lecture 8: Case Studies of DFT

Lecture 9: Advanced DFT - Success and Failure

Lecture 9: Advanced DFT - S...

Lecture 11: Finite Temperature

Lecture 11: Finite Temperature

Lecture 13: Molecular Dynamics I

Lecture 13: Molecular Dynam...

Lecture 14: Molecular Dynamics II

Lecture 14: Molecular Dynam...

Lecture 15: Molecular Dynamics III: First Principles

Lecture 15: Molecular Dynam...

Lecture 17: Monte Carlo Simulations

Lecture 17: Monte Carlo Sim...

Lecture 18: Monte Carlo Simulation II

Lecture 18: Monte Carlo Sim...

Lecture 19: Free Energies and Physical Coarse-Graining

Lecture 19: Free Energies a...

Lecture 20: Model Hamiltonions

Lecture 20: Model Hamiltonions

Lecture 22: Ab-Initio Thermodynamics and Structure Prediction

Lecture 22: Ab-Initio Therm...

Lecture 23: Accelerated Molecular Dynamics

Lecture 23: Accelerated Mol...

Lecture 25: Case Studies - High Pressure

Lecture 25: Case Studies - ...

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