[Slides] Atomistic Material Science
http://nanohub.org/resources/11916
Tue, 23 Apr 2019 09:53:46 +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.orgnomolecular dynamics, Simulation, simulation and modeling, MD simulations, Summer School, 1st principles, materials scienceen-gbCopyright 2019 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.http://nanohub.org/site/resources/2012/03/13505/2011.07.19-NCN-T3-Strachan.pdfThis 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.nomolecular dynamics, ab initio, dev/funded by NCN@Purdue, hosted/taped by NCN@Purdue, from Purdue, Simulation, many-body, simulation and modeling, MD simulations, density functional theory, Summer School, DFT, 1st principles, ab-initio DFT...Alejandro StrachanAlejandro StrachanOnline PresentationsFri, 04 Nov 2011 03:14:06 +0000http://nanohub.org/site/resources/2012/03/13505/2011.07.19-NCN-T3-Strachan.pdfTutorial 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.http://nanohub.org/site/resources/2012/03/13507/2011.07.19-NCN-T4-Strachan.pdfThis 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.nomolecular dynamics, dev/funded by NCN@Purdue, hosted/taped by NCN@Purdue, from Purdue, Simulation, simulation and modeling, MD simulations, Summer School, 1st principles, materials scienceAlejandro StrachanAlejandro StrachanOnline PresentationsFri, 04 Nov 2011 03:14:06 +0000http://nanohub.org/site/resources/2012/03/13507/2011.07.19-NCN-T4-Strachan.pdf