Explore an in-depth presentation on the implementation and application of the Kubo-Greenwood formula in the LSMS method for ab initio electronic conductivity calculations of disordered structures. Delve into Vishnu Raghuraman's recent work and gain insights into this advanced computational approach. Additionally, examine a comparative analysis of various ab initio methods, including MuST, VASP, and WIEN2K, for calculating the energetics of selected metals and binary compounds.
Ab Initio Approach to Electronic Conductivity Calculations for Disordered Structures
MuST Program for Disordered Materials via YouTube
Overview
Syllabus
Ab initio approach to electronic conductivity calculations for disordered structures
Taught by
MuST Program for Disordered Materials
Related Courses
-
Fast, Accurate and Large-scale Ab-initio Calculations for Materials Modeling
-
Ab-initio Green's Functions Methods for Molecules and Solids - Lecture 36
-
Ab Initio Many-Body Perturbation Theory - QE School 2023 Lecture 4.5
-
Ab-initio Variational Wave Functions for the Time-(In)dependent Many-electron Schrödinger Equation
-
Fast, Accurate and Large-Scale Ab-Initio Calculations for Materials Modeling
-
Revealing Electronic Structure and Topological States of Charge Density Wave Compounds
