{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,29]],"date-time":"2026-07-29T09:05:11Z","timestamp":1785315911086,"version":"3.55.0"},"reference-count":8,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T00:00:00Z","timestamp":1788220800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T00:00:00Z","timestamp":1788220800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,6,9]],"date-time":"2026-06-09T00:00:00Z","timestamp":1780963200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["SoftwareX"],"published-print":{"date-parts":[[2026,9]]},"DOI":"10.1016\/j.softx.2026.102801","type":"journal-article","created":{"date-parts":[[2026,6,12]],"date-time":"2026-06-12T09:13:49Z","timestamp":1781255629000},"page":"102801","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"C","title":["GaussianAPI: RESTful web service for fitting repulsive potentials in density-functional tight-binding with Gaussian process regression"],"prefix":"10.1016","volume":"35","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6118-9044","authenticated-orcid":false,"given":"Bojana","family":"Koteska","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anastas","family":"Mishev","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ljupco","family":"Pejov","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.softx.2026.102801_bib0001","doi-asserted-by":"crossref","DOI":"10.1063\/1.5143190","article-title":"DFTB+, a software package for efficient approximate density functional theory based atomistic simulations","volume":"152","author":"Hourahine","year":"2020","journal-title":"J Chem Phys"},{"issue":"4","key":"10.1016\/j.softx.2026.102801_bib0002","doi-asserted-by":"crossref","first-page":"2181","DOI":"10.1021\/acs.jctc.9b00975","article-title":"Learning to use the force: fitting repulsive potentials in density-functional tight-binding with gaussian process regression","volume":"16","author":"Panosetti","year":"2020","journal-title":"J Chem Theor Comput"},{"key":"10.1016\/j.softx.2026.102801_bib0003","doi-asserted-by":"crossref","DOI":"10.1103\/PhysRevLett.104.136403","article-title":"Gaussian approximation potentials: the accuracy of quantum mechanics, without the electrons","volume":"104","author":"Bart\u00f3k","year":"2010","journal-title":"Phys Rev Lett"},{"key":"10.1016\/j.softx.2026.102801_bib0004","doi-asserted-by":"crossref","first-page":"371","DOI":"10.1146\/annurev-physchem-062123-024417","article-title":"Machine learning of reactive potentials","volume":"75","author":"Yang","year":"2024","journal-title":"Annu Rev Phys Chem"},{"key":"10.1016\/j.softx.2026.102801_bib0005","unstructured":"GaussianAPI reference dataset for repulsive potential fitting. 2026, Available at: https:\/\/gaussian.chem-api.finki.ukim.mk\/static\/reference_data.xyz."},{"key":"10.1016\/j.softx.2026.102801_bib0006","doi-asserted-by":"crossref","first-page":"9816","DOI":"10.1021\/acs.chemrev.1c00107","article-title":"Combining machine learning and computational chemistry for predictive insights","volume":"121","author":"Keith","year":"2021","journal-title":"Chem Rev"},{"key":"10.1016\/j.softx.2026.102801_bib0007","doi-asserted-by":"crossref","DOI":"10.1002\/adma.201902765","article-title":"Machine learning interatomic potentials as emerging tools for materials science","volume":"31","author":"Deringer","year":"2019","journal-title":"Adv Mater"},{"key":"10.1016\/j.softx.2026.102801_bib0008","article-title":"Gaussian API - RESTful web service for fitting repulsive potentials in density-functional tight-binding with Gaussian process regression","author":"Koteska","year":"2026","journal-title":"Zenodo"}],"container-title":["SoftwareX"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S2352711026002931?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S2352711026002931?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,7,29]],"date-time":"2026-07-29T08:56:13Z","timestamp":1785315373000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2352711026002931"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,9]]},"references-count":8,"alternative-id":["S2352711026002931"],"URL":"https:\/\/doi.org\/10.1016\/j.softx.2026.102801","relation":{},"ISSN":["2352-7110"],"issn-type":[{"value":"2352-7110","type":"print"}],"subject":[],"published":{"date-parts":[[2026,9]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"GaussianAPI: RESTful web service for fitting repulsive potentials in density-functional tight-binding with Gaussian process regression","name":"articletitle","label":"Article Title"},{"value":"SoftwareX","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.softx.2026.102801","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 The Authors. Published by Elsevier B.V.","name":"copyright","label":"Copyright"}],"article-number":"102801"}}