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Video lectures
| Lec # |
Topics |
VIDEO LECTURES |
INSTRUCTORS |
| 1 |
Introduction and Case Studies |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Gerbrand Ceder |
| 2 |
Potentials, Supercells, Relaxation, Methodology |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Gerbrand Ceder |
| 3 |
Potentials 2: Potentials for Organic Materials and Oxides
It's a Quantum World! |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Gerbrand Ceder
Prof. Nicola Marzari |
| 4 |
Lab 1: Energetics and Structure from Empirical Potentials |
|
|
| 5 |
First Principles Energy Methods: The Many-Body Problem |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Nicola Marzari |
| 6 |
First Principles Energy Methods: Hartree-Fock and DFT |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Nicola Marzari |
| 7 |
Technical Aspects of Density Functional Theory |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Nicola Marzari |
| 8 |
Case Studies of DFT |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Nicola Marzari |
| 9 |
Advanced DFT: Success and Failure
DFT Applications and Performance |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Nicola Marzari
Prof. Gerbrand Ceder |
| 10 |
Lab 2: Density Functional Theory I |
|
|
| 11 |
Finite Temperature: Review of Stat Mech and Thermodynamics
Excitations in Materials and How to Sample Them |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Gerbrand Ceder |
| 12 |
Lab 3: Density Functional Theory II |
|
|
| 13 |
Molecular Dynamics I |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Nicola Marzari |
| 14 |
Molecular Dynamics II |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Nicola Marzari |
| 15 |
Molecular Dynamics III: First Principles |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Nicola Marzari |
| 16 |
Lab 4: Molecular Dynamics
SMA/Cambridge students off-line (no beaming) |
|
|
| 17 |
Monte Carlo Simulations: Application to Lattice Models, Sampling Errors, Metastability |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Gerbrand Ceder |
| 18 |
Monte Carlo Simulation II and Free Energies |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Gerbrand Ceder |
| 19 |
Free Energies and Physical Coarse-Graining |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Gerbrand Ceder |
| 20 |
Model Hamiltonions |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Nicola Marzari |
| 21 |
Lab 5: Monte Carlo |
|
|
| 22 |
Ab-Initio Thermodynamics and Structure Prediction |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Gerbrand Ceder |
| 23 |
Accelerated Molecular Dynamics, Kinetic Monte Carlo, and Inhomogeneous Spatial Coarse Graining |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Gerbrand Ceder |
| 24 |
Modeling in Industry |
|
Chris Wolverton, Ford Motor Company |
| 25 |
Case Studies: High Pressure
Conclusions |
(RM - 56K)
(RM - 80K)
(RM - 220K) |
Prof. Nicola Marzari
Prof. Gerbrand Ceder |