Ontology highlight
ABSTRACT:
SUBMITTER: Bore SL
PROVIDER: S-EPMC10250386 | biostudies-literature | 2023 Jun
REPOSITORIES: biostudies-literature
Bore Sigbjørn Løland SL Paesani Francesco F
Nature communications 20230608 1
Since the experimental characterization of the low-pressure region of water's phase diagram in the early 1900s, scientists have been on a quest to understand the thermodynamic stability of ice polymorphs on the molecular level. In this study, we demonstrate that combining the MB-pol data-driven many-body potential for water, which was rigorously derived from "first principles" and exhibits chemical accuracy, with advanced enhanced-sampling algorithms, which correctly describe the quantum nature ...[more]