3.320 Atomistic Computer Modeling of Materials

Video Lectures

Displaying all 19 video lectures.
Lecture 1
Introduction and Case Studies
Play Video		 Introduction and Case Studies
Prof. Gerbrand Ceder introduces the course and talks about Case Studies.
Lecture 2
Potentials, Supercells, and Methodology
Play Video		 Potentials, Supercells, and Methodology
Prof. Gerbrand Ceder lectures on Potentials, Supercells, Relaxation and Methodology.
Lecture 3
Potentials
Play Video		 Potentials
Prof. Gerbrand Ceder and Prof. Nicola Marzari continue their lecture on Potentials: Potentials for Organic Materials and Oxides.
Lecture 5
First Principles Energy Methods
Play Video		 First Principles Energy Methods
Prof. Nicola Marzari lectures on First Principles Energy Methods: The Many-Body Problem.
Lecture 6
First Principles Energy Methods II
Play Video		 First Principles Energy Methods II
Prof. Nicola Marzari lectures on First Principles Energy Methods: Hartree-Fock and DFT
Lecture 7
Technical Aspects of Density Functional Theory
Play Video		 Technical Aspects of Density Functional Theory
Prof. Nicola Marzari lectures on Technical Aspects of Density Functional Theory.
Lecture 8
Case Studies of DFT
Play Video		 Case Studies of DFT
Prof. Nicola Marzari lectures on Case Studies of DFT.
Lecture 9
Advanced DFT: Success and Failure
Play Video		 Advanced DFT: Success and Failure
Prof. Gerbrand Ceder and Prof. Nicola Marzari lecture on Advanced DFT: Success and Failure, DFT Applications and Performance
Lecture 11
Finite Temperature
Play Video		 Finite Temperature
Prof. Gerbrand Ceder lectures on Finite Temperature: Review of Stat Mech and Thermodynamics, Excitations in Materials and How to Sample Them.
Lecture 13
Molecular Dynamics I
Play Video		 Molecular Dynamics I
Prof. Nicola Marzari lectures on Molecular Dynamics.
Lecture 14
Molecular Dynamics II
Play Video		 Molecular Dynamics II
Prof. Nicola Marzari lectures on Molecular Dynamics II.
Lecture 15
Molecular Dynamics III: First Principles
Play Video		 Molecular Dynamics III: First Principles
Prof. Nicola Marzari lectures on Molecular Dynamics III: First Principles
Lecture 17
Simulations: Application to Lattice Models
Play Video		 Simulations: Application to Lattice Models
Prof. Gerbrand Ceder lectures on Monte Carlo Simulations: Application to Lattice Models, Sampling Errors, Metastability.
Lecture 18
Monte Carlo Simulation II and Free Energies
Play Video		 Monte Carlo Simulation II and Free Energies
Prof. Gerbrand Ceder lectures on Monte Carlo Simulation II and Free Energies.
Lecture 19
Free Energies and Physical Coarse-Graining
Play Video		 Free Energies and Physical Coarse-Graining
Prof. Gerbrand Ceder lectures on Free Energies and Physical Coarse-Graining.
Lecture 20
Model Hamiltonions
Play Video		 Model Hamiltonions
Prof. Nicola Marzari lectures on Model Hamiltonions.
Lecture 22
Ab-Initio Thermodynamics and Structure Prediction
Play Video		 Ab-Initio Thermodynamics and Structure Prediction
Prof. Gerbrand Ceder lectures on Ab-Initio Thermodynamics and Structure Prediction.
Lecture 23
Accelerated Molecular Dynamics
Play Video		 Accelerated Molecular Dynamics
Prof. Gerbrand Ceder lectures on Accelerated Molecular Dynamics, Kinetic Monte Carlo, and Inhomogeneous Spatial Coarse Graining
Lecture 25
Case Studies: High Pressure
Play Video		 Case Studies: High Pressure
Prof. Gerbrand Ceder and Prof. Nicola Marzari lecture on Case Studies: High Pressure and Conclusions.