Ontology highlight
ABSTRACT:
SUBMITTER: Jarvi J
PROVIDER: S-EPMC7590619 | biostudies-literature | 2020
REPOSITORIES: biostudies-literature
Beilstein journal of nanotechnology 20201019
Identifying the atomic structure of organic-inorganic interfaces is challenging with current research tools. Interpreting the structure of complex molecular adsorbates from microscopy images can be difficult, and using atomistic simulations to find the most stable structures is limited to partial exploration of the potential energy surface due to the high-dimensional phase space. In this study, we present the recently developed Bayesian Optimization Structure Search (BOSS) method as an efficient ...[more]