Surface phase diagrams from nested sampling

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00050A, PaperMingrui Yang, Livia Bartok-Partay, Robert Bruce Wexler Studies in atomic-scale modeling of surface phase equilibria often focus on temperatures near zero Kelvin due to the challenges in calculating the free energy of surfaces at finite temperatures. The... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - April 17, 2024 Category: Chemistry Authors: Mingrui Yang Source Type: research