pyCSH: Automated atomic-level structure generation of bulk C-S-H and investigation of their intrinsic properties
(2024)
Journal Article
A new Python code for the automated generation of realistic bulk calcium silicate hydrate (C-S-H) structures is introduced. The code was used to generate 400 structures with Ca/Si of 1.3, 1.5, 1.7, and 1.9. The generated structures are in excellent a... Read More about pyCSH: Automated atomic-level structure generation of bulk C-S-H and investigation of their intrinsic properties.