Courses:

Atomistic Computer Modeling of Materials (SMA 5107) >> Content Detail



Video Lectures



Video Lectures

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Lec #TopicsVIDEO LECTURESINSTRUCTORS
1Introduction and Case Studies(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Gerbrand Ceder
2Potentials, Supercells, Relaxation, Methodology(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Gerbrand Ceder
3Potentials 2: Potentials for Organic Materials and Oxides

It's a Quantum World!
(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Gerbrand Ceder

Prof. Nicola Marzari
4Lab 1: Energetics and Structure from Empirical Potentials
5First Principles Energy Methods: The Many-Body Problem(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Nicola Marzari
6First Principles Energy Methods: Hartree-Fock and DFT(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Nicola Marzari
7Technical Aspects of Density Functional Theory(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Nicola Marzari
8Case Studies of DFT(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Nicola Marzari
9Advanced DFT: Success and Failure

DFT Applications and Performance
(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Nicola Marzari

Prof. Gerbrand Ceder
10Lab 2: Density Functional Theory I
11Finite Temperature: Review of Stat Mech and Thermodynamics

Excitations in Materials and How to Sample Them
(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Gerbrand Ceder
12Lab 3: Density Functional Theory II
13Molecular Dynamics I(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Nicola Marzari
14Molecular Dynamics II(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Nicola Marzari
15Molecular Dynamics III: First Principles(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Nicola Marzari
16Lab 4: Molecular Dynamics
SMA/Cambridge students off-line (no beaming)
17Monte Carlo Simulations: Application to Lattice Models, Sampling Errors, Metastability(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Gerbrand Ceder
18Monte Carlo Simulation II and Free Energies(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Gerbrand Ceder
19Free Energies and Physical Coarse-Graining(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Gerbrand Ceder
20Model Hamiltonions(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Nicola Marzari
21Lab 5: Monte Carlo
22Ab-Initio Thermodynamics and Structure Prediction(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Gerbrand Ceder
23Accelerated Molecular Dynamics, Kinetic Monte Carlo, and Inhomogeneous Spatial Coarse Graining(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Gerbrand Ceder
24Modeling in IndustryChris Wolverton, Ford Motor Company
25Case Studies: High Pressure

Conclusions
(RM - 56K)
(RM - 80K)
(RM - 220K)
Prof. Nicola Marzari

Prof. Gerbrand Ceder

 








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