AIASSE

Project information

Ab Initio Augmented Structure Solving Engine

Hybrid methodology combining Empirical Potential-based Structure Refinement (EPSR) fitting of total scattering data with first-principles quantum mechanical calculations (Density Functional Theory).

185 Commits
1 Branch
0 Tags

README

Created on

March 17, 2025

Copy SSH clone URLgit@gitlab-dev.ecdf.ed.ac.uk:cprutean/aiasse.git
Copy HTTPS clone URLhttps://gitlab-dev.ecdf.ed.ac.uk/cprutean/aiasse.git

Loading