[Audio] Atomistic Material ScienceThis course introduces first principles electronic structure calculations of materials properties and the concept of molecular dynamics (MD) simulations of materials focusing on the physics and approximations underlying the simulations and interpretation of their results.
http://nanohub.org/resources/11916
Sat, 25 Oct 2014 19:02:25 +0000HUBzero - The open source platform for scientific and educational collaborationThis course introduces first principles electronic structure calculations of materials properties and the concept of molecular dynamics (MD) simulations of materials focusing on the physics and approximations underlying the simulations and interpretation of their results.nanoHUB.orgsupport@nanohub.orgno1st principles, materials science, MD simulations, molecular dynamics, Simulation, simulation and modeling, Summer SchoolAlejandro Strachanen-gbCopyright 2014 nanoHUB.orgResourcesTutorial 1: Atomistic Material Science - ab initio simulations of materials
http://nanohub.org/resources/11917
This lecture introduces first principles electronic structure calculations of materials properties.It describes the approximations made to the many-body Schrodinger equation in Hartree Fock and Density Functional Theory and numerical approximations used in computer simulations.This lecture introduces first principles electronic structure calculations of materials properties.It describes the approximations made to the many-body Schrodinger equation in Hartree Fock and Density Functional Theory and numerical approximations used in computer simulations.no1st principles, ab initio, ab-initio DFT computations, density functional theory, DFT, many-body, materials science, MD simulations, molecular dynamics, Simulation, simulation and modeling, Summer SchoolAlejandro StrachanAlejandro StrachanOnline PresentationsFri, 04 Nov 2011 07:14:06 +0000/http://nanohub.org/site/resources/2011/09/12045/2011.07.19-NCN-T3-Strachan.mp3Tutorial 2: Atomistic Material Science - Molecular Dynamics simulations of materials
http://nanohub.org/resources/11918
This lecture introduces the concept of molecular dynamics (MD) simulations of materials focusing on the physics and approximations underlying the simulations and interpretation of their results.This lecture introduces the concept of molecular dynamics (MD) simulations of materials focusing on the physics and approximations underlying the simulations and interpretation of their results.no1st principles, materials science, MD simulations, molecular dynamics, Simulation, simulation and modeling, Summer SchoolAlejandro StrachanAlejandro StrachanOnline PresentationsFri, 04 Nov 2011 07:14:06 +0000/http://nanohub.org/site/resources/2011/09/12048/2011.07.19-NCN-T4-Strachan.mp3