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However, density functional theory (DFT), time-dependent DFT and many-body perturbation theory calculations increasingly require the use of advanced codes running on high-performance computing (HPC) facilities. Consequently, many researchers who would like to augment their experimental work with such simulations are hampered by the compounding of nontrivial knowledge requirements, specialist training and significant time investment. To this end, we present\n                    <jats:italic>Web-CONEXS<\/jats:italic>\n                    , an intuitive graphical web application for democratizing electronic structure theory simulations.\n                    <jats:italic>Web-CONEXS<\/jats:italic>\n                    generates and submits simulation workflows for theoretical X-ray absorption and X-ray emission spectroscopy to a remote computing cluster. In the present form,\n                    <jats:italic>Web-CONEXS<\/jats:italic>\n                    interfaces with three software packages:\n                    <jats:italic>ORCA<\/jats:italic>\n                    ,\n                    <jats:italic>FDMNES<\/jats:italic>\n                    and\n                    <jats:italic>Quantum ESPRESSO<\/jats:italic>\n                    , and an extensive materials database courtesy of the Materials Project API. These software packages have been selected to model diverse materials and properties.\n                    <jats:italic>Web-CONEXS<\/jats:italic>\n                    has been conceived with the novice user in mind; job submission is limited to a subset of simulation parameters. This ensures that much of the simulation complexity is lifted and preliminary theoretical results are generated faster.\n                    <jats:italic>Web-CONEXS<\/jats:italic>\n                    can be leveraged to support beam time proposals and serve as a platform for preliminary analysis of experimental data.\n                  <\/jats:p>","DOI":"10.1107\/s1600577524005630","type":"journal-article","created":{"date-parts":[[2024,7,17]],"date-time":"2024-07-17T04:43:41Z","timestamp":1721191421000},"page":"1276-1284","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":2,"title":["<i>Web-CONEXS<\/i>\n                    : an inroad to theoretical X-ray absorption spectroscopy"],"prefix":"10.1107","volume":"31","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0729-246X","authenticated-orcid":true,"given":"Joshua D.","family":"Elliott","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/05etxs293","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9164-2724","authenticated-orcid":true,"given":"Victor","family":"Rogalev","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/05etxs293","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nigel","family":"Wilson","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/05etxs293","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2387-7644","authenticated-orcid":true,"given":"Mihai","family":"Duta","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/05etxs293","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0006-1532-7171","authenticated-orcid":true,"given":"Christopher J.","family":"Reynolds","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/05etxs293","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5175-0042","authenticated-orcid":true,"given":"Jacob","family":"Filik","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/05etxs293","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4490-5672","authenticated-orcid":true,"given":"Thomas J.","family":"Penfold","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7616-6515","authenticated-orcid":true,"given":"Sofia","family":"Diaz-Moreno","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/05etxs293","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2024,8,1]]},"reference":[{"key":"ok5117_bb1","doi-asserted-by":"crossref","first-page":"4439","DOI":"10.1021\/jacs.1c11757","volume":"144","author":"Alkhalifah","year":"2022","journal-title":"J. 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