tag:joss.theoj.org,2005:/papers/by/Alex%20GanoseJournal 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/48432024-01-07T20:40:46Z2024-01-08T00:00:30ZJobflow: Computational Workflows Made Simpleaccepted0.1.142023-10-10 17:26:07 UTC932024-01-07 20:40:46 UTC920245995AndrewS.RosenDepartment of Materials Science and Engineering, University of California, Berkeley, Berkeley, CA, USA, Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA0000-0002-0141-7006MaxGallantDepartment of Materials Science and Engineering, University of California, Berkeley, Berkeley, CA, USA, Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA0009-0008-4099-6144JanineGeorgeFederal Institute for Materials Research and Testing, Department Materials Chemistry, Berlin, Germany, Friedrich Schiller University Jena, Institute of Condensed Matter Theory and Solid-State Optics, Jena, Germany0000-0001-8907-0336JanoshRiebesellMaterials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA, Department of Physics, University of Cambridge, Cambridge, UK0000-0001-5233-3462HrushikeshSahasrabuddheDepartment of Materials Science and Engineering, University of California, Berkeley, Berkeley, CA, USA, Energy Storage and Distributed Resources Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA0000-0001-7346-4568Jimmy-XuanShenMaterials Science Division, Lawrence Livermore National Laboratory, Livermore, CA, USA0000-0002-2743-7531MingjianWenWilliam A. Brookshire Department of Chemical and Biomolecular Engineering, University of Houston, Houston, TX, USA0000-0003-0013-575XMatthewL.EvansMatgenix SRL, rue Armand Bury 185, 6534 Gozée, Belgium, Institut de la Matière Condensée et des Nanosciences, Université catholique de Louvain, Chemin des Étoiles 8, Louvain-la-Neuve 1348, Belgium0000-0002-1182-9098GuidoPetrettoMatgenix SRL, rue Armand Bury 185, 6534 Gozée, BelgiumDavidWaroquiersMatgenix SRL, rue Armand Bury 185, 6534 Gozée, Belgium, Institut de la Matière Condensée et des Nanosciences, Université catholique de Louvain, Chemin des Étoiles 8, Louvain-la-Neuve 1348, Belgium0000-0001-8943-9762Gian-MarcoRignaneseMatgenix SRL, rue Armand Bury 185, 6534 Gozée, Belgium, Institut de la Matière Condensée et des Nanosciences, Université catholique de Louvain, Chemin des Étoiles 8, Louvain-la-Neuve 1348, Belgium, School of Materials Science and Engineering, Northwestern Polytechnical University, No. 127 Youyi West Road, Xi’an 710072 Shaanxi, PR China0000-0002-1422-1205KristinA.PerssonDepartment of Materials Science and Engineering, University of California, Berkeley, Berkeley, CA, USA, Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA, Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA, USA0000-0002-7212-6310AnubhavJainEnergy Storage and Distributed Resources Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA0000-0001-5893-9967AlexM.GanoseDepartment of Chemistry, Imperial College London, London, UK0000-0002-4486-332110.21105/joss.05995https://doi.org/10.5281/zenodo.10466868Pythonhttps://joss.theoj.org/papers/10.21105/joss.05995.pdfWorkflowstag:joss.theoj.org,2005:Paper/24402021-03-17T01:15:55Z2021-03-18T00:01:35ZIFermi: A python library for Fermi surface generation and analysisacceptedv.0.2.12021-03-04 18:16:54 UTC592021-03-17 01:15:55 UTC620213089AlexM.GanoseEnergy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA0000-0002-4486-3321AmySearleMaterials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, Clarendon Laboratory, Department of Physics, University of Oxford, OX1 3PU, UKAnubhavJainEnergy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA0000-0001-5893-9967SinéadM.GriffinMaterials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA0000-0002-9943-486610.21105/joss.03089https://doi.org/10.5281/zenodo.4609270Pythonhttps://joss.theoj.org/papers/10.21105/joss.03089.pdfelectronic structure, fermi surface, spin texture, materials science, chemistry, physicstag:joss.theoj.org,2005:Paper/4652018-08-07T06:39:43Z2021-02-15T11:33:28Zsumo: Command-line tools for plotting and analysis of periodic *ab initio* calculationsacceptedv1.0.42018-04-17 10:29:14 UTC282018-08-07 06:39:43 UTC32018717AlexM.GanoseDept of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK, Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE, UK, Thomas Young Centre, University College London, Gower Street, London WC1E 6BT, UK0000-0002-4486-3321AdamJ.JacksonDept of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK0000-0001-5272-6530DavidO.ScanlonDept of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK, Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE, UK, Thomas Young Centre, University College London, Gower Street, London WC1E 6BT, UK0000-0001-9174-860110.21105/joss.00717https://doi.org/10.5281/zenodo.1338124Pythonhttps://joss.theoj.org/papers/10.21105/joss.00717.pdfplotting, ab initio, density of states, band structure, optical absorption, effective mass, phonons, vasptag: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