{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,17]],"date-time":"2026-03-17T14:13:11Z","timestamp":1773756791561,"version":"3.50.1"},"reference-count":25,"publisher":"MDPI AG","issue":"2","license":[{"start":{"date-parts":[[2019,1,31]],"date-time":"2019-01-31T00:00:00Z","timestamp":1548892800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100006151","name":"Basic Energy Sciences","doi-asserted-by":"publisher","award":["DE-SC00014506"],"award-info":[{"award-number":["DE-SC00014506"]}],"id":[{"id":"10.13039\/100006151","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Entropy"],"abstract":"<jats:p>The information required to specify a liquid structure equals, in suitable units, its thermodynamic entropy. Hence, an expansion of the entropy in terms of multi-particle correlation functions can be interpreted as a hierarchy of information measures. Utilizing first principles molecular dynamics simulations, we simulate the structure of liquid aluminum to obtain its density, pair and triplet correlation functions, allowing us to approximate the experimentally measured entropy and relate the excess entropy to the information content of the correlation functions. We discuss the accuracy and convergence of the method.<\/jats:p>","DOI":"10.3390\/e21020131","type":"journal-article","created":{"date-parts":[[2019,2,1]],"date-time":"2019-02-01T03:08:05Z","timestamp":1548990485000},"page":"131","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":14,"title":["First Principles Calculation of the Entropy of Liquid Aluminum"],"prefix":"10.3390","volume":"21","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5972-5696","authenticated-orcid":false,"given":"Michael","family":"Widom","sequence":"first","affiliation":[{"name":"Department of Physics, Carnegie Mellon University, Pittsburgh, PA 15217, USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Michael","family":"Gao","sequence":"additional","affiliation":[{"name":"National Energy Technology Laboratory, Albany, OR 97321, USA"},{"name":"Leidos Research Support Team, P.O. Box 10940, Pittsburgh, PA 15236, USA"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2019,1,31]]},"reference":[{"key":"ref_1","unstructured":"Gibbs, J.W. (1960). Elementary Principles in Statistical Mechanics, Dover."},{"key":"ref_2","first-page":"273","article-title":"Thermodynamik quantenmechanischer Gesamtheiten","volume":"1927","year":"1927","journal-title":"Nachr. Ges. Wiss. Gott. Math. Phys. Kl."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"379","DOI":"10.1002\/j.1538-7305.1948.tb01338.x","article-title":"A Mathematical Theory of Communication","volume":"27","author":"Shannon","year":"1948","journal-title":"Bell Syst. Tech. J."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"620","DOI":"10.1103\/PhysRev.106.620","article-title":"Information Theory and Statistical Mechanics","volume":"106","author":"Jaynes","year":"1957","journal-title":"Phys. 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