no code implementations • 26 Mar 2023 • Daniel T. Speckhard, Christian Carbogno, Luca Ghiringhelli, Sven Lubeck, Matthias Scheffler, Claudia Draxl
The ultimate precision is reached with an infinitely large basis set, i. e., in the limit of a complete basis set (CBS).
2 code implementations • 25 Mar 2023 • Marcel F. Langer, Florian Knoop, Christian Carbogno, Matthias Scheffler, Matthias Rupp
The Green-Kubo (GK) method is a rigorous framework for heat transport simulations in materials.
1 code implementation • 20 May 2020 • Rui Patrick Xian, Vincent Stimper, Marios Zacharias, Shuo Dong, Maciej Dendzik, Samuel Beaulieu, Bernhard Schölkopf, Martin Wolf, Laurenz Rettig, Christian Carbogno, Stefan Bauer, Ralph Ernstorfer
Electronic band structure (BS) and crystal structure are the two complementary identifiers of solid state materials.
Data Analysis, Statistics and Probability Materials Science Computational Physics