tag:joss.theoj.org,2005:/papers/tagged/spectroscopyJournal of Open Source Software2024-02-14T14:57:13ZJournal of Open Source Softwarehttps://joss.theoj.orgtag:joss.theoj.org,2005:Paper/48972024-02-14T14:57:13Z2024-02-19T16:23:56ZPyTASER: Simulating transient absorption spectroscopy (TAS) for crystals from first principlesacceptedv2.2.02023-10-24 15:23:57 UTC942024-02-14 14:57:13 UTC920245999SavyasanchiAggarwalThomas Young Centre and Department of Materials, Imperial College London, London, United Kingdom, Thomas Young Centre and Department of Chemistry, University College London, London, United Kingdom0009-0007-7128-3465SeánR.KavanaghThomas Young Centre and Department of Materials, Imperial College London, London, United Kingdom, Thomas Young Centre and Department of Chemistry, University College London, London, United Kingdom0000-0003-4577-9647YoungWonWooThomas Young Centre and Department of Materials, Imperial College London, London, United Kingdom, Department of Materials Science and Engineering, Yonsei University, Seoul, KoreaLucasG.VergaThomas Young Centre and Department of Materials, Imperial College London, London, United Kingdom0000-0002-7453-238XAlexM.GanoseDepartment of Chemistry, Imperial College London, London, United Kingdom0000-0002-4486-3321AronWalshThomas Young Centre and Department of Materials, Imperial College London, London, United Kingdom0000-0001-5460-703310.21105/joss.05999https://doi.org/10.5281/zenodo.10634762Pythonhttps://joss.theoj.org/papers/10.21105/joss.05999.pdfmaterials science, first-principles, optics, differential-absorption, spectroscopy, density functional theorytag:joss.theoj.org,2005:Paper/46092024-02-05T20:21:25Z2024-02-06T00:00:57Zprospect: an R package to link leaf optical properties with their chemical and structural properties with the leaf model PROSPECTacceptedv1.3.02023-07-17 16:12:52 UTC942024-02-05 20:21:25 UTC920246027Jean-BaptisteFéretTETIS, INRAE, AgroParisTech, CIRAD, CNRS, Université Montpellier, Montpellier, France0000-0002-0151-1334Floriande BoissieuTETIS, INRAE, AgroParisTech, CIRAD, CNRS, Université Montpellier, Montpellier, France0000-0002-2185-995210.21105/joss.06027https://doi.org/10.5281/zenodo.10480410Rhttps://joss.theoj.org/papers/10.21105/joss.06027.pdfleaf spectroscopy, vegetation biophysical properties, remote sensing, physical modeling, iterative optimizationtag:joss.theoj.org,2005:Paper/48992024-02-01T01:26:49Z2024-02-02T00:00:54ZTDEP: Temperature Dependent Effective Potentialsacceptedv1.02023-10-25 16:51:46 UTC942024-02-01 01:26:49 UTC920246150FlorianKnoopTheoretical Physics Division, Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden0000-0002-7132-039XNinaShulumbaTheoretical Physics Division, Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden0000-0002-2374-7487AloïsCastellanoNanomat group, QMAT center, CESAM research unit and European Theoretical Spectroscopy Facility, Université de Liège, allée du 6 août, 19, B-4000 Liège, Belgium0000-0002-8783-490XJ.P. AlvarinhasBatistaNanomat group, QMAT center, CESAM research unit and European Theoretical Spectroscopy Facility, Université de Liège, allée du 6 août, 19, B-4000 Liège, Belgium0000-0002-3314-249XRobertaFarrisCatalan Institute of Nanoscience and Nanotechnology - ICN2 (BIST and CSIC), Campus UAB, 08193 Bellaterra (Barcelona), Spain0000-0001-6710-0100MatthieuJ.VerstraeteNanomat group, QMAT center, CESAM research unit and European Theoretical Spectroscopy Facility, Université de Liège, allée du 6 août, 19, B-4000 Liège, Belgium, ITP, Physics Department, University of Utrecht, 3584 CC Utrecht, the Netherlands0000-0001-6921-5163MatthewHeineDepartment of Physics, Boston College, Chestnut Hill, MA 02467, USA0000-0002-4882-6712DavidBroidoDepartment of Physics, Boston College, Chestnut Hill, MA 02467, USA0000-0003-0182-4450DennisS.KimCollege of Letters and Science, Department of Chemistry and Biochemistry, University of California, Los Angeles (UCLA), California 90025, USA0000-0002-5707-2609JohanKlarbringTheoretical Physics Division, Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden, Department of Materials, Imperial College London, South Kensington Campus, London SW7 2AZ, UK0000-0002-6223-5812IgorA.AbrikosovTheoretical Physics Division, Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden0000-0001-7551-4717SergeiI.SimakTheoretical Physics Division, Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden, Department of Physics and Astronomy, Uppsala University, SE-75120 Uppsala, Sweden0000-0002-1320-389XOlleHellmanWeizmann Institute of Science, Rehovot, Israel0000-0002-3453-297510.21105/joss.06150https://doi.org/10.5281/zenodo.10589895Fortran, C++https://joss.theoj.org/papers/10.21105/joss.06150.pdfPhysics, Phonons, Temperature, Anharmonicity, Thermal transport, Neutron spectroscopy, Raman spectroscopytag:joss.theoj.org,2005:Paper/47132024-01-11T17:22:56Z2024-01-12T00:01:07ZLIBSsa: an open source software for analyzing LIBS spectraacceptedv2.1.02023-08-21 20:15:54 UTC932024-01-11 17:22:56 UTC920245961KleydsonStenioDepartment of Biotechnology, Federal University of São Carlos, São Carlos, SP 13563-905, Brazil, Embrapa Instrumentation, São Carlos, SP 13560-970, Brazil0000-0002-1407-9712DéboraMarcondes Bastos PereiraMiloriEmbrapa Instrumentation, São Carlos, SP 13560-970, Brazil0000-0003-1253-717410.21105/joss.05961https://doi.org/10.5281/zenodo.10447382Pythonhttps://joss.theoj.org/papers/10.21105/joss.05961.pdfLIBS, spectroscopy, modeling, automationtag:joss.theoj.org,2005:Paper/45902023-12-12T17:00:34Z2023-12-13T00:00:42Zpudu: A Python library for agnostic feature selection and explainability of Machine Learning spectroscopic problemsaccepted0.3.02023-07-10 08:59:28 UTC922023-12-12 17:00:34 UTC820235873EnricGrau-LuqueCatalonia Institute for Energy Research (IREC), Jardins de les Dones de Negre 1, 08930 Sant Adrià de Besòs, Spain.0000-0002-8357-5824IgnacioBecerril-RomeroCatalonia Institute for Energy Research (IREC), Jardins de les Dones de Negre 1, 08930 Sant Adrià de Besòs, Spain.0000-0002-7087-6097AlejandroPerez-RodriguezCatalonia Institute for Energy Research (IREC), Jardins de les Dones de Negre 1, 08930 Sant Adrià de Besòs, Spain., Departament d'Enginyeria Electrònica i Biomèdica, IN2UB, Universitat de Barcelona, C/ Martí i Franqués 1, 08028 Barcelona, Spain.0000-0002-3634-1355MaximGucCatalonia Institute for Energy Research (IREC), Jardins de les Dones de Negre 1, 08930 Sant Adrià de Besòs, Spain.0000-0002-2072-9566VictorIzquierdo-RocaCatalonia Institute for Energy Research (IREC), Jardins de les Dones de Negre 1, 08930 Sant Adrià de Besòs, Spain.0000-0002-5502-313310.21105/joss.05873https://doi.org/10.5281/zenodo.10161346Pythonhttps://joss.theoj.org/papers/10.21105/joss.05873.pdfSpectroscopy, Machine Learning, Explainability and intepretability, Classification and regressiontag: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/39852023-05-27T12:39:46Z2023-05-28T00:01:35ZEISPAC - The EIS Python Analysis Codeacceptedv0.93.32022-11-03 16:03:15 UTC852023-05-27 12:39:46 UTC820234914MicahJ.WebergGeorge Mason University, USA, US Naval Research Laboratory, USA0000-0002-4433-4841HarryP.WarrenUS Naval Research Laboratory, USA0000-0001-6102-6851NicholasCrumpUS Naval Research Laboratory, USAWillBarnesDepartment of Physics, American University, USA, NASA Goddard Space Flight Center, USA0000-0001-9642-608910.21105/joss.04914https://doi.org/10.5281/zenodo.7949516Pythonhttps://joss.theoj.org/papers/10.21105/joss.04914.pdfsolar physics, astronomy, spectroscopytag:joss.theoj.org,2005:Paper/41992023-05-05T15:46:22Z2023-05-06T00:01:00Zpopkinmocks: mock IFU datacubes for modelling stellar populations and kinematicsacceptedv1.0.02023-02-10 13:42:09 UTC852023-05-05 15:46:22 UTC820235225PrashinJethwaDepartment of Astrophysics, University of Vienna, Türkenschanzstraße 17, A-1180 Vienna, Austria0000-0003-0010-812910.21105/joss.05225https://doi.org/10.5281/zenodo.7890628Pythonhttps://joss.theoj.org/papers/10.21105/joss.05225.pdfastronomy, spectroscopy, stellar-populations, stellar-kinematicstag:joss.theoj.org,2005:Paper/40322023-04-28T18:42:26Z2023-05-03T13:24:13ZPyra: Automated EM27/SUN Greenhouse Gas Measurement Softwareaccepted4.0.62022-11-30 10:03:54 UTC842023-04-28 18:42:26 UTC820235131PatrickAignerEnvironmental Sensing and Modeling, Technical University of Munich (TUM), Munich, Germanyㅤㅤ0000-0002-1530-415XMoritzMakowskiEnvironmental Sensing and Modeling, Technical University of Munich (TUM), Munich, Germanyㅤㅤ0000-0002-2948-2993AndreasLutherEnvironmental Sensing and Modeling, Technical University of Munich (TUM), Munich, Germanyㅤㅤ0000-0001-6382-0899FlorianDietrichEnvironmental Sensing and Modeling, Technical University of Munich (TUM), Munich, Germanyㅤㅤ0000-0002-3069-9946JiaChenEnvironmental Sensing and Modeling, Technical University of Munich (TUM), Munich, Germanyㅤㅤ0000-0002-6350-661010.21105/joss.05131https://doi.org/10.5281/zenodo.7825610Python, JavaScript, TypeScripthttps://joss.theoj.org/papers/10.21105/joss.05131.pdfautomation, remote sensing, spectroscopy, atmospheric science, greenhouse gas, city emissions, carbon dioxide, methane, carbon monoxide, EM27/SUN, bruker, opus, camtracker, python, typescript, html, css, user interface, tauri, ssh, scp, docusaurus, tailwindcsstag:joss.theoj.org,2005:Paper/38342023-01-13T19:04:03Z2023-01-14T00:00:53ZPOSEIDON: A Multidimensional Atmospheric Retrieval Code for Exoplanet Spectraacceptedv0.9.02022-08-24 22:41:44 UTC812023-01-13 19:04:03 UTC820234873RyanJ.MacDonaldDepartment of Astronomy, University of Michigan, 1085 S. University Ave., Ann Arbor, MI 48109, USA, NHFP Sagan Fellow, Department of Astronomy and Carl Sagan Institute, Cornell University, 122 Sciences Drive, Ithaca, NY 14853, USA0000-0003-4816-346910.21105/joss.04873https://doi.org/10.5281/zenodo.7530543Python, Jupyter Notebookhttps://joss.theoj.org/papers/10.21105/joss.04873.pdfastronomy, exoplanets, spectroscopy, atmospheric retrieval, atmospheric models, JWST