Affiliations
WWU Advanced Materials Science & Engineering Center (AMSEC)
MERCURY Consortium – A group of computational chemistry faculty at primarily undergraduate institutions.
Crystal Structure and Computational Chemistry Resources
VASP – A plane-wave density functional theory code developed in Vienna.
YAeHMOP – An open-source extended Hückel code developed in Roald Hoffmann’s group at Cornell.
Phonopy – An open-source code for calculating phonon frequencies of (e.g.) VASP calculations.
VMD and VESTA – Two open-source crystal structure viewers.
Bilbao Crystallographic Server – Lots of tools related to crystal structure.
Funding and Support
