Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Three main components for GAP: (1) a reference database of quantum-mechanical data for suitably chosen structural models, (2) a representation of the atomic environments (typically using combinations of 2-body and SOAP descriptors; section 4.2), and (3) the GP regression itself. Adapted from ref (29) with permission. Copyright 2019 WILEY-VCH.
