Structured Data for Quantum Chemistry Through QCSchema and QCArchive
Speaker: Lori Burns
Affiliation: Georgia Institute of Technology
Type: Short talk
Abstract
Over the past year, QCSchema development has centered on implementing and encouraging adoption of the v2 specification through several quantum chemistry software projects. Its progress will be discussed, as well as findings from dozens of community interviews regarding current practices, unmet needs, and future priorities for structured scientific data that are helping guide the continued evolution of QCSchema. The progress of Psi4 in adopting reusable libraries will also be reviewed.