-
Cryscor-Tools Public
Tools for ease of use in aperiodic embedding, etc in Cryscor
-
mini-dmft Public
Solves the 1-D Hubbard model in DFT+DMFT style, starting from a tight-binding model and turning on U
Python UpdatedDec 14, 2024 -
Hexaboride-Superconductors Public
Lavroff, R. H.; Munarriz, J.; Dickerson, C. E.; Munoz, F.; Alexandrova, A. N. Chemical Bonding Dictates Drastic Critical Temperature Difference in Two Seemingly Identical Superconductors. 2024, Pro…
Fortran UpdatedDec 3, 2024 -
gocia Public
Forked from zishengz/gociaGlobal Optimizer for Clusters, Interfaces, and Adsorbates
Python GNU General Public License v3.0 UpdatedNov 30, 2023 -
-
-
-
rexgen_direct Public
Forked from bobbyjudd/rexgen_directTemplate-free prediction of organic reaction outcomes
-
PGOPT Public
Forked from alexandrova-lab-ucla/PGOPTParallel global optimization of gas phase and surface systems
Python GNU General Public License v3.0 UpdatedFeb 18, 2021 -
-
ProgrammingProjects Public
Forked from CrawfordGroup/ProgrammingProjectsC++ Programming Tutorial in Chemistry
UpdatedJan 4, 2021