Repository logo

Infoscience

  • English
  • French
Log In
Logo EPFL, École polytechnique fédérale de Lausanne

Infoscience

  • English
  • French
Log In
  1. Home
  2. Academic and Research Output
  3. Journal articles
  4. Entropy based fingerprint for local crystalline order
 
research article

Entropy based fingerprint for local crystalline order

Piaggi, Pablo M.
•
Parrinello, Michele
2017
Journal Of Chemical Physics

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.

  • Details
  • Metrics
Type
research article
DOI
10.1063/1.4998408
Web of Science ID

WOS:000411462100013

Author(s)
Piaggi, Pablo M.
Parrinello, Michele
Date Issued

2017

Publisher

Amer Inst Physics

Published in
Journal Of Chemical Physics
Volume

147

Issue

11

Article Number

114112

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
THEOS  
Available on Infoscience
October 9, 2017
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/141174
Logo EPFL, École polytechnique fédérale de Lausanne
  • Contact
  • infoscience@epfl.ch

  • Follow us on Facebook
  • Follow us on Instagram
  • Follow us on LinkedIn
  • Follow us on X
  • Follow us on Youtube
AccessibilityLegal noticePrivacy policyCookie settingsEnd User AgreementGet helpFeedback

Infoscience is a service managed and provided by the Library and IT Services of EPFL. © EPFL, tous droits réservés