000231535 001__ 231535
000231535 005__ 20181203024832.0
000231535 0247_ $$2doi$$a10.1063/1.4998408
000231535 022__ $$a0021-9606
000231535 02470 $$2ISI$$a000411462100013
000231535 037__ $$aARTICLE
000231535 245__ $$aEntropy based fingerprint for local crystalline order
000231535 260__ $$bAmer Inst Physics$$c2017$$aMelville
000231535 269__ $$a2017
000231535 300__ $$a5
000231535 336__ $$aJournal Articles
000231535 520__ $$aWe 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.
000231535 700__ $$uEcole Polytech Fedrale Lausanne, Theory & Simulat Mat THEOS, USI Campus,Via Giuseppe Buffi 13, CH-6900 Lugano, Switzerland$$aPiaggi, Pablo M.
000231535 700__ $$uUSI, Fac Informat, Inst Sci Computazionali, Via Giuseppe Buffi 13, CH-6900 Lugano, Switzerland$$aParrinello, Michele
000231535 773__ $$j147$$tJournal Of Chemical Physics$$k11$$q114112
000231535 909C0 $$xU12411$$0252461$$pTHEOS
000231535 909CO $$pSTI$$particle$$ooai:infoscience.tind.io:231535
000231535 917Z8 $$x210230
000231535 937__ $$aEPFL-ARTICLE-231535
000231535 973__ $$rREVIEWED$$sPUBLISHED$$aEPFL
000231535 980__ $$aARTICLE