Gaussian Processes for Finite Size Extrapolation of Many-Body Simulations

This article is licensed under aCreative Commons Attribution 3.0 Unported Licence.Edgar Josue Landinez-Borda, Kenneth O. Berard, Annette Lopez, Brenda M Rubenstein Key to being able to accurately model the properties of realistic materials is being able to predict their properties in the thermodynamic limit. Nevertheless, because most many-body electronic structure methods... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Faraday Discuss. latest articles - March 25, 2024 Category: Chemistry Authors: Edgar Josue Landinez-Borda Source Type: research