tag:joss.theoj.org,2005:/papers/by/Claudia%20DraxlJournal of Open Source Software2023-10-15T06:24:40ZJournal of Open Source Softwarehttps://joss.theoj.orgtag:joss.theoj.org,2005:Paper/43632023-10-15T06:24:40Z2023-10-16T10:44:49ZNOMAD: A distributed web-based platform for managing materials science research dataacceptedv1.1.82023-03-24 09:37:47 UTC902023-10-15 06:24:40 UTC820235388MarkusScheidgenDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0002-8038-2277LauriHimanenDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0002-3130-8193AlvinNoeLadinesDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0003-0077-2097DavidSikterDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0002-2102-7160MohammadNakhaeeDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0003-4146-0129ÁdámFeketeDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0002-6263-897XTheodoreChangDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0002-4911-0230AmirGolparvarDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0002-2412-6615JoséA.MárquezDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0002-8173-2566SandorBrockhauserDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0002-9700-4803SebastianBrücknerLeibniz Institut für Kristallzüchtung, Berlin, Germany0000-0002-5969-847XLucaM.GhiringhelliDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0001-5099-3029FelixDietrichSchool of Computation, Information and Technology, Technical University of Munich, Munich, Germany0000-0002-2906-1769DanielLehmbergSchool of Computation, Information and Technology, Technical University of Munich, Munich, Germany0000-0002-4012-5014TheaDenellDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0009-0000-7185-9363AndreaAlbinoDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0001-9280-7431HampusNäsströmDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0002-3264-1692SherjeelShabihDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0009-0008-6635-4465FlorianDobenerDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0003-1987-6224MarkusKühbachDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0002-7117-5196RubelMozumderDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0009-0007-5926-6646JosephF.RudzinskiDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0003-3403-640XNathanDaelmanDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0002-7647-1816JoséM.PizarroDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0002-6751-8192MartinKubanDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0002-1619-2460CuauhtemocSalazarDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0002-9635-5062PavelOndračkaDepartment of Plasma Physics and Technology, Masaryk University, Brno, Czech Republic0000-0003-0729-629XHans-JoachimBungartzSchool of Computation, Information and Technology, Technical University of Munich, Munich, Germany0000-0002-0171-0712ClaudiaDraxlDepartment of Physics, Humboldt-Universität zu Berlin, Berlin, Germany0000-0003-3523-665710.21105/joss.05388https://doi.org/10.5281/zenodo.8366163https://joss.theoj.org/papers/10.21105/joss.05388.pdfPython, javascript, database, materials science, data management, electronic lab notebook, FAIRtag:joss.theoj.org,2005:Paper/45052023-10-03T18:19:25Z2023-10-09T03:20:41ZTime-frequency component of the GreenX library: minimax grids for efficient RPA and GW calculationsacceptedV1.0.02023-05-24 09:13:15 UTC902023-10-03 18:19:25 UTC820235570MaryamAziziInstitute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium0000-0001-9089-1043JanWilhelmInstitute of Theoretical Physics and Regensburg Center for Ultrafast Nanoscopy (RUN), University of Regensburg, D-93053 Regensburg, Germany0000-0001-8678-8246DorotheaGolzeFaculty of Chemistry and Food Chemistry, Technische Universität Dresden, 01062 Dresden, Germany0000-0002-2196-9350MatteoGiantomassiInstitute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium0000-0002-7007-9813RamónL.Panadés-BarruetaFaculty of Chemistry and Food Chemistry, Technische Universität Dresden, 01062 Dresden, Germany0000-0003-4239-0978FranciscoA.DelesmaDepartment of Applied Physics, Aalto University, P.O. Box 11100, 00076 Aalto, Finland0000-0001-6912-7745AlexanderBuccheriInstitut für Physik und Iris Adlershof, Humboldt-Universität zu Berlin, Zum Großen Windkanal 2, 12489 Berlin, Germany0000-0001-5983-8631AndrisGulansDepartment of Physics, University of Latvia, Jelgavas iela 3, Riga, LV-1004 Latvia0000-0001-7304-1952PatrickRinkeDepartment of Applied Physics, Aalto University, P.O. Box 11100, 00076 Aalto, Finland0000-0003-1898-723XClaudiaDraxlInstitut für Physik und Iris Adlershof, Humboldt-Universität zu Berlin, Zum Großen Windkanal 2, 12489 Berlin, Germany0000-0003-3523-6657XavierGonzeInstitute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium0000-0002-8377-682910.21105/joss.05570https://doi.org/10.5281/zenodo.8321618Fortran, Python, Chttps://joss.theoj.org/papers/10.21105/joss.05570.pdfFORTRAN, Low scaling GW calculations, Low scaling RPA calculations, Minimax approximationtag:joss.theoj.org,2005:Paper/39682023-07-29T09:43:49Z2023-07-30T15:43:15ZLightshow: a Python package for generating computational x-ray absorption spectroscopy input filesacceptedv0.0.142022-10-18 01:07:43 UTC872023-07-29 09:43:49 UTC820235182MatthewR.CarboneComputational Science Initiative, Brookhaven National Laboratory, Upton, New York 11973, United States0000-0002-5181-9513FanchenMengCenter for Functional Nanomaterials, Brookhaven National Laboratory, Upton, New York 11973, United States0000-0001-9869-9005ChristianVorwerkPritzker School of Molecular Engineering, University of Chicago, Chicago, IL 60637, United States0000-0002-2516-9553BenediktMaurerPhysics Department and IRIS Adlershof, Humboldt-Universität zu Berlin, D-12489 Berlin, Germany0000-0001-9152-7390FabianPeschelPhysics Department and IRIS Adlershof, Humboldt-Universität zu Berlin, D-12489 Berlin, Germany0000-0003-0619-6713XiaohuiQuCenter for Functional Nanomaterials, Brookhaven National Laboratory, Upton, New York 11973, United States0000-0001-5651-8405EliStavitskiNational Synchrotron Light Source II, Brookhaven National Laboratory, Upton, New York 11973, United States0000-0002-3337-2930ClaudiaDraxlPhysics Department and IRIS Adlershof, Humboldt-Universität zu Berlin, D-12489 Berlin, Germany0000-0003-3523-6657JohnVinsonMaterial Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, United States0000-0002-7619-7060DeyuLuCenter for Functional Nanomaterials, Brookhaven National Laboratory, Upton, New York 11973, United States0000-0003-4351-608510.21105/joss.05182https://doi.org/10.5281/zenodo.8118592Python, Jupyter Notebookhttps://joss.theoj.org/papers/10.21105/joss.05182.pdfcomputational spectroscopy, condensed matter physics, materials sciencetag:joss.theoj.org,2005:Paper/41512023-05-03T14:20:39Z2023-05-04T00:01:31Zexcitingtools: An exciting Workflow Toolacceptedv1.1.02023-01-05 23:47:51 UTC852023-05-03 14:20:39 UTC820235148AlexanderBuccheriHumboldt-Universität zu Berlin, Berlin, Germany, Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany0000-0001-5983-8631FabianPeschelHumboldt-Universität zu Berlin, Berlin, Germany0000-0003-0619-6713BenediktMaurerHumboldt-Universität zu Berlin, Berlin, Germany0000-0001-9152-7390MaraVoiculescuHumboldt-Universität zu Berlin, Berlin, Germany0000-0003-4393-8528DanielT.SpeckhardHumboldt-Universität zu Berlin, Berlin, Germany0000-0002-9849-0022HannahKleineHumboldt-Universität zu Berlin, Berlin, Germany0000-0003-2251-8719ElisaStephanHumboldt-Universität zu Berlin, Berlin, Germany0000-0002-6359-9044MartinKubanHumboldt-Universität zu Berlin, Berlin, Germany0000-0002-1619-2460ClaudiaDraxlHumboldt-Universität zu Berlin, Berlin, Germany0000-0003-3523-665710.21105/joss.05148https://doi.org/10.5281/zenodo.7799887Pythonhttps://joss.theoj.org/papers/10.21105/joss.05148.pdfPhysics, DFT, Workflowtag:joss.theoj.org,2005:Paper/20602021-01-07T22:06:36Z2021-12-27T17:54:04ZGIMS: Graphical Interface for Materials Simulationsaccepted1.0.02020-10-06 15:26:57 UTC572021-01-07 22:06:36 UTC620212767SebastianKokottThe NOMAD Laboratory at the Fritz Haber Institute of the Max Planck Society, Berlin, Germany0000-0003-1066-6909IkerHurtadoThe NOMAD Laboratory at the Fritz Haber Institute of the Max Planck Society, Berlin, Germany0000-0003-3805-4912ChristianVorwerkInstitut für Physik and IRIS Adlershof, Humboldt-Universität zu Berlin, Berlin, Germany0000-0002-2516-9553ClaudiaDraxlInstitut für Physik and IRIS Adlershof, Humboldt-Universität zu Berlin, Berlin, Germany0000-0003-3523-6657VolkerBlumDepartment of Mechanical Engineering and Materials Science, Duke University, Durham, NC, United States of America0000-0001-8660-7230MatthiasSchefflerThe NOMAD Laboratory at the Fritz Haber Institute of the Max Planck Society, Berlin, Germany0000-0002-1280-987310.21105/joss.02767https://doi.org/10.5281/zenodo.4386436Python, JavaScripthttps://joss.theoj.org/papers/10.21105/joss.02767.pdfComputational Materials Science, Electronic Structure Theory, Density Functional Theory