Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 147, Issue 11, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4998408
Keywords
-
Funding
- NCCR MARVEL - Swiss National Science Foundation
- European Union [ERC-2014-AdG-670227/VARMET]
- Swiss National Supercomputing Center (CSCS) [mr3]
Ask authors/readers for more resources
We introduce a new fingerprint that allows distinguishing between liquid-like and solid-like atomic environments. This fingerprint is based on an approximate expression for the entropy projected on individual atoms. When combined with local enthalpy, this fingerprint acquires an even finer resolution and it is capable of discriminating between different crystal structures. Published by AIP Publishing.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available