{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,24]],"date-time":"2026-03-24T00:33:02Z","timestamp":1774312382480,"version":"3.50.1"},"reference-count":44,"publisher":"IOP Publishing","issue":"1","license":[{"start":{"date-parts":[[2020,12,1]],"date-time":"2020-12-01T00:00:00Z","timestamp":1606780800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0"},{"start":{"date-parts":[[2020,12,1]],"date-time":"2020-12-01T00:00:00Z","timestamp":1606780800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/iopscience.iop.org\/info\/page\/text-and-data-mining"}],"funder":[{"name":"Marie Skodowska-Curie","award":["795206"],"award-info":[{"award-number":["795206"]}]}],"content-domain":{"domain":["iopscience.iop.org"],"crossmark-restriction":false},"short-container-title":["Mach. Learn.: Sci. 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The high accuracy (\n                    <jats:italic>r<\/jats:italic>\n                    <jats:sup>2<\/jats:sup>\n                    &gt; 0.9) and speed up of energy level predictions of neural networks compared to density functional theory enables us to analyze HOMO energies of PEDOT oligomers as a function of time. We find a surprisingly low degree of static energy disorder compared to other organic semiconductors. This finding might help to better understand the microscopic origin of the high charge carrier mobility of PEDOT:PSS in general and potentially help to design new conductive polymers.\n                  <\/jats:p>","DOI":"10.1088\/2632-2153\/ab983b","type":"journal-article","created":{"date-parts":[[2020,6,1]],"date-time":"2020-06-01T18:30:16Z","timestamp":1591036216000},"page":"01LT01","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":10,"title":["The influence of sorbitol doping on aggregation and electronic properties of PEDOT:PSS: a theoretical study"],"prefix":"10.1088","volume":"2","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4465-1465","authenticated-orcid":false,"given":"Pascal","family":"Friederich","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2757-9417","authenticated-orcid":false,"given":"Salvador","family":"Le\u00f3n","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jos\u00e9 Dar\u00edo","family":"Perea","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lo\u00efc M","family":"Roch","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Al\u00e1n","family":"Aspuru-Guzik","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"266","published-online":{"date-parts":[[2020,12,1]]},"reference":[{"key":"mlstab983bbib1","doi-asserted-by":"publisher","first-page":"6495","DOI":"10.1002\/adfm.201501919","article-title":"Learning from the Harvard clean energy project: the use of neural networks to accelerate materials discovery","volume":"25","author":"Pyzer-Knapp","year":"2015","journal-title":"Adv. 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