Computational Materials Science of Organic Semiconductors
(and other materials)

Description: This GitHub account hosts various resources for modeling of organic semiconductors and other materials including code, methodology, datasets, references, educational resources.

Hosted projects (repositories)

• Common files for CMSOS
• Gallery of crystal structures
• Benchmark datasets of crystalline organic semiconductors
• Electronic structure of crystalline polymers
• Tight-binding models
• Lattice Green's functions

Related pages by Andriy Zhugayevych

• Computational Chemistry and Materials Modeling course
• Guidelines on installation and use of scientific software
• Personal library

© 2022 Andriy Zhugayevych