tag:joss.theoj.org,2005:/papers/tagged/high-throughput%20screeningJournal of Open Source Software2021-05-20T17:42:38ZJournal of Open Source Softwarehttps://joss.theoj.orgtag:joss.theoj.org,2005:Paper/25282021-05-20T17:42:38Z2021-05-21T00:00:33ZSurfaxe: Systematic surface calculationsacceptedv1.12021-03-19 17:39:43 UTC612021-05-20 17:42:38 UTC620213171KatarinaBrlecDepartment of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, United Kingdom, Thomas Young Centre, University College London, Gower Street, London WC1E 6BT, United Kingdom0000-0003-1485-1888DanielW.DaviesDepartment of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, United Kingdom, Thomas Young Centre, University College London, Gower Street, London WC1E 6BT, United Kingdom0000-0003-4094-5992DavidO.ScanlonDepartment of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, United Kingdom, Thomas Young Centre, University College London, Gower Street, London WC1E 6BT, United Kingdom, Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE, UK0000-0001-9174-860110.21105/joss.03171https://doi.org/10.5281/zenodo.4776449Python, Jupyter Notebookhttps://joss.theoj.org/papers/10.21105/joss.03171.pdfmaterials design, high-throughput screening, surfacestag:joss.theoj.org,2005:Paper/9412019-06-10T10:26:16Z2021-02-15T11:32:21ZSMACT: Semiconducting Materials by Analogy and Chemical Theoryacceptedv2.0.22019-03-28 18:51:21 UTC382019-06-10 10:26:16 UTC420191361DanielW.DaviesDepartment of Materials, Imperial College London, London, UK0000-0003-4094-5992KeithT.ButlerSciML, STFC Scientific Computing Division, Rutherford Appleton Laboratories, UK0000-0001-5432-5597AdamJ.JacksonDepartment of Chemistry, University College London, London, UK0000-0001-5272-6530JonathanM.SkeltonSchool of Chemistry, University of Manchester, Manchester, UK0000-0002-0395-1202KazukiMoritaDepartment of Materials, Imperial College London, London, UK0000-0002-2558-6963AronWalshDepartment of Materials, Imperial College London, London, UK, Department of Materials Science and Engineering, Yonsei University, Seoul, Korea0000-0001-5460-703310.21105/joss.01361https://doi.org/10.5281/zenodo.3242315Pythonhttps://joss.theoj.org/papers/10.21105/joss.01361.pdfmaterials design, chemical heuristics, high-throughput screening