Learn · Atomistic Computer Modeling of Materials (SMA 5107)
Lecture 4 of 19Video Lectures
Lecture 5: First Principles Energy Methods
Prof. Gerbrand Ceder and Prof. Nicola Marzari · Massachusetts Institute of Technology
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- From
- Atomistic Computer Modeling of Materials (SMA 5107), Massachusetts Institute of Technology (at MIT OpenCourseWare)
- Licence
- CC BY-NC-SA 4.0, as MIT OpenCourseWare states it. Non-commercial use only.
- Attribution
- Prof. Gerbrand Ceder, Prof. Nicola Marzari. Atomistic Computer Modeling of Materials (SMA 5107). Spring 2005. Massachusetts Institute of Technology: MIT OpenCourseWare, https://ocw.mit.edu/. License: Creative Commons BY-NC-SA.
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- Tweens profiles and older. How courses are placed
All the lectures
- Lecture 1: Introduction and Case Studies
- Lecture 2: Potentials, Supercells, Relaxation, Methodology
- Lecture 3: Potentials 2
- Lecture 5: First Principles Energy Methods
- Lecture 6: First Principles Energy Methods
- Lecture 7: Technical Aspects of Density Functional Theory
- Lecture 8: Case Studies of DFT
- Lecture 9: Advanced DFT - Success and Failure
- Lecture 11: Finite Temperature
- Lecture 13: Molecular Dynamics I
- Lecture 14: Molecular Dynamics II
- Lecture 15: Molecular Dynamics III: First Principles
- Lecture 17: Monte Carlo Simulations
- Lecture 18: Monte Carlo Simulation II
- Lecture 19: Free Energies and Physical Coarse-Graining
- Lecture 20: Model Hamiltonions
- Lecture 22: Ab-Initio Thermodynamics and Structure Prediction
- Lecture 23: Accelerated Molecular Dynamics
- Lecture 25: Case Studies - High Pressure