tag:joss.theoj.org,2005:/papers/tagged/DfRJournal of Open Source Software2024-01-09T18:00:24ZJournal of Open Source Softwarehttps://joss.theoj.orgtag:joss.theoj.org,2005:Paper/47112024-01-09T18:00:24Z2024-01-10T00:01:02ZCLPFUDatabase: A suite of R packages for energy conversion chain analysisacceptedThis submission covers several packages, each with its own current version.2023-08-20 17:36:52 UTC932024-01-09 18:00:24 UTC920246057MatthewKuperusHeunEngineering Department, Calvin University, School of Earth and Environment, University of Leeds, School for Public Leadership, Stellenbosch University0000-0002-7438-214XZekeMarshallSchool of Earth and Environment, University of Leeds0000-0001-9260-7827EmmanuelAramendiaSchool of Earth and Environment, University of Leeds0000-0002-5964-677610.21105/joss.06057https://doi.org/10.5281/zenodo.10458774Rhttps://joss.theoj.org/papers/10.21105/joss.06057.pdfenergy, exergy, matrix mathematics, energy efficiencytag:joss.theoj.org,2005:Paper/40812023-05-17T20:57:41Z2023-05-18T07:50:05ZAtomic Simulation Interface (ASI): application programming interface for electronic structure codesacceptedv1.02022-12-12 16:56:15 UTC852023-05-17 20:57:41 UTC820235186PavelV.StishenkoCardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, United Kingdom0000-0003-4653-9899ThomasW.KealScientific Computing Department, STFC Daresbury Laboratory, Keckwick Lane, Daresbury, Warrington WA4 4AD, United Kingdom0000-0001-8747-3975ScottM.WoodleyDepartment of Chemistry, Kathleen Lonsdale Materials Chemistry, University College London, London, United Kingdom0000-0003-3418-9043VolkerBlumThomas Lord Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, United States0000-0001-8660-7230BenjaminHourahineSUPA, Department of Physics, University of Strathclyde, John Anderson Building, 107 Rottenrow, Glasgow G4 0NG, United Kingdom0000-0002-7667-7101ReinhardJ.MaurerDepartment of Chemistry, University of Warwick, Coventry, CV4 7AL, United Kingdom, Department of Physics, University of Warwick, Coventry, CV4 7AL, United Kingdom0000-0002-3004-785XAndrewJ.LogsdailCardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, United Kingdom0000-0002-2277-415X10.21105/joss.05186https://doi.org/10.5281/zenodo.7931108Chttps://joss.theoj.org/papers/10.21105/joss.05186.pdfPython, DFTtag: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/36772022-09-23T14:44:23Z2022-09-26T12:03:03Zsolid_dmft: gray-boxing DFT+DMFT materials simulations with TRIQSaccepted3.1.12022-06-24 14:30:46 UTC772022-09-23 14:44:23 UTC720224623MaximilianE.MerkelMaterials Theory, ETH Zürich, Wolfgang-Pauli-Strasse 27, 8093 Zürich, Switzerland0000-0003-2589-9625AlbertoCartaMaterials Theory, ETH Zürich, Wolfgang-Pauli-Strasse 27, 8093 Zürich, Switzerland0000-0003-0705-0281SophieBeckCenter for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, NY 10010, USA0000-0002-9336-6065AlexanderHampelCenter for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, NY 10010, USA0000-0003-1041-861410.21105/joss.04623https://doi.org/10.5281/zenodo.7105085PHPhttps://joss.theoj.org/papers/10.21105/joss.04623.pdfPython, electronic structure theory, solid-state, computational materials science, correlated electrons, dynamical mean-field theorytag:joss.theoj.org,2005:Paper/20542021-03-31T15:40:57Z2021-04-01T09:15:29Zropenblas: Download, Compile and Link OpenBLAS Library with Racceptedv0.2.82020-10-01 19:42:35 UTC592021-03-31 15:40:57 UTC620212769Pedro RafaelDiniz MarinhoDepartment of Statistics, Federal University of Paraíba, João Pessoa, Paraíba - PB, Brazil0000-0003-1591-830010.21105/joss.02769https://doi.org/10.5281/zenodo.4618251Rhttps://joss.theoj.org/papers/10.21105/joss.02769.pdfCompiling R and OpenBLAS, Link OpenBLAS, Switch between versions of R, Fast algebraic computingtag:joss.theoj.org,2005:Paper/14472020-01-23T15:03:14Z2021-02-15T11:31:07Zoutsider: Install and run programs, outside of R, inside of Racceptedv0.1.12020-01-21 10:58:32 UTC452020-01-23 15:03:14 UTC520202038DominicJ.BennettGothenburg Global Biodiversity Centre, Box 461, SE-405 30 Gothenburg, Sweden, Department of Biological and Environmental Sciences, University of Gothenburg, Box 461, SE-405 30 Gothenburg, Sweden0000-0003-2722-1359HannesHettlingNaturalis Biodiversity Center, P.O. Box 9517, 2300 RA Leiden, The Netherlands0000-0003-4144-2238DanieleSilvestroGothenburg Global Biodiversity Centre, Box 461, SE-405 30 Gothenburg, Sweden, Department of Biological and Environmental Sciences, University of Gothenburg, Box 461, SE-405 30 Gothenburg, Sweden0000-0003-0100-0961RutgerVosNaturalis Biodiversity Center, P.O. Box 9517, 2300 RA Leiden, The Netherlands0000-0001-9254-7318AlexandreAntonelliGothenburg Global Biodiversity Centre, Box 461, SE-405 30 Gothenburg, Sweden, Department of Biological and Environmental Sciences, University of Gothenburg, Box 461, SE-405 30 Gothenburg, Sweden, Royal Botanic Gardens, Kew, TW9 3AE, Richmond, Surrey, UK0000-0003-1842-929710.21105/joss.02038https://doi.org/10.5281/zenodo.3615177Rhttps://joss.theoj.org/papers/10.21105/joss.02038.pdfDocker, GitHub, GitLab, BitBucket, Reproducibility, Workflow, Integrationtag:joss.theoj.org,2005:Paper/8152019-01-16T12:12:01Z2021-02-15T11:32:39Zstats19: A package for working with open road crash dataaccepted0.1.12019-01-15 14:40:47 UTC332019-01-16 12:12:01 UTC420191181RLovelaceInstitute for Transport Studies (ITS) and Leeds Institute for Data Analytics (LIDA), University of Leeds0000-0001-5679-6536MMorganInstitute for Transport Studies (ITS) and Leeds Institute for Data Analytics (LIDA), University of LeedsLHamaInstitute for Transport Studies (ITS) and Leeds Institute for Data Analytics (LIDA), University of Leeds0000-0003-1912-4890MPadghamATFutures GmbH.0000-0003-2172-526510.21105/joss.01181https://doi.org/10.5281/zenodo.2540781Rhttps://joss.theoj.org/papers/10.21105/joss.01181.pdfstats19, crashes, dft, road safetytag:joss.theoj.org,2005:Paper/5872018-08-08T09:19:34Z2020-03-14T00:51:59Zjstor: Import and Analyse Data from Scientific Textsacceptedv0.3.22018-08-07 15:31:30 UTC282018-08-08 09:19:34 UTC32018883ThomasKlebelDepartment of Sociology, University of Graz0000-0002-7331-475110.21105/joss.00883https://doi.org/10.5281/zenodo.1341034Rhttps://joss.theoj.org/papers/10.21105/joss.00883.pdfJSTOR, DfR, Data for Research, scientometrics, bibliometrics, text mining, text analysis, citation analysistag:joss.theoj.org,2005:Paper/5262018-08-07T15:30:53Z2021-02-15T11:33:17Zeffmass: An effective mass packageacceptedv1.0.b12018-06-25 21:19:12 UTC282018-08-07 15:30:53 UTC32018797LucyD.WhalleyDepartment of Materials, Imperial College London, London, United Kingdom0000-0002-2992-987110.21105/joss.00797https://doi.org/10.5281/zenodo.1338919Python, Jupyter Notebookhttps://joss.theoj.org/papers/10.21105/joss.00797.pdfmaterials science, DFTtag:joss.theoj.org,2005:Paper/4742018-06-15T12:49:55Z2021-02-15T11:33:26ZGalore: Broadening and weighting for simulation of photoelectron spectroscopyaccepted0.5.02018-04-23 10:33:16 UTC262018-06-15 12:49:55 UTC32018773AdamJ.JacksonDept of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK, Thomas Young Centre, University College London, Gower Street, London WC1E 6BT, UK0000-0001-5272-6530AlexM.GanoseDept of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK, Thomas Young Centre, University College London, Gower Street, London WC1E 6BT, UK, Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE, UK0000-0002-4486-3321AnnaRegoutzDept of Materials, Imperial College London, London SW7 2AZ, UK0000-0002-3747-3763RussellG.EgdellDept of Chemistry, University of Oxford, South Parks Road, Oxford OX1 3QR, UKDavidO.ScanlonDept of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK, Thomas Young Centre, University College London, Gower Street, London WC1E 6BT, UK, Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE, UK0000-0001-9174-860110.21105/joss.00773https://doi.org/10.5281/zenodo.1240359Python, Roffhttps://joss.theoj.org/papers/10.21105/joss.00773.pdfab initio, density of states, density-functional theory, DFT, photoemission, raman spectroscopy, ir spectroscopy, chemistry, physics