tag:joss.theoj.org,2005:/papers/tagged/computingJournal of Open Source Software2024-03-26T15:54:37ZJournal of Open Source Softwarehttps://joss.theoj.orgtag:joss.theoj.org,2005:Paper/48572024-03-26T15:54:37Z2024-03-27T00:01:22ZMold: a LAMMPS package to compute interfacial free energies and nucleation ratesacceptedLAMMPS 20232023-10-20 08:11:09 UTC952024-03-26 15:54:37 UTC920246083AndresR.TejedorYusuf Hamied Department of Chemistry, University of Cambridge, United Kingdom, Departamento de Química Física, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, Spain0000-0002-9437-6169IgnacioSanchez-BurgosCavendish Laboratory, Department of Physics, University of Cambridge, United Kingdom0000-0002-1160-3945EduardoSanzDepartamento de Química Física, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, Spain0000-0001-6474-5835CarlosVegaDepartamento de Química Física, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, Spain0000-0002-2417-9645FelipeJ.BlasLaboratorio de Simulacion Molecular y Quimica Computacional, CIQSO-Centro de Investigacion en Quimica Sostenible and Departamento de Ciencias Integradas, Universidad de Huelva, Spain0000-0001-9030-040XRuslanL.DavidchackSchool of Computing and Mathematical Sciences, University of Leicester, United Kingdom0000-0001-9418-5322NicodemoDi PasqualeDepartment of Chemical Engineering, Brunel University London, United Kingdom, Dipartimento di Chimica Industriale, Università di Bologna, Italy0000-0001-5676-8527JorgeRamirezDepartment of Chemical Engineering, Universidad Politécnica de Madrid, Spain0000-0002-8946-3786JorgeR.EspinosaDepartamento de Química Física, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, Spain0000-0001-9530-265810.21105/joss.06083https://doi.org/10.5281/zenodo.10843863C++https://joss.theoj.org/papers/10.21105/joss.06083.pdfLAMMPS, Molecular simulations, Phase Transitions, Nucleation theorytag:joss.theoj.org,2005:Paper/45062024-03-21T10:22:23Z2024-03-24T17:58:38ZAutomatic Computation for Robot Design (ACRoD): A Python package for numerical calculation of Jacobian of a robot at a given configuration around a specified end-effector pointacceptedv1.1.42023-05-24 15:07:03 UTC952024-03-21 10:22:23 UTC920245927AkkarapakamSuneeshJacobIndian Institute of Technology Kanpur, Kanpur, India.0000-0002-9855-9368RituparnaDattaCapgemini Technological Services India Limited, Bengaluru, India.0000-0003-3816-243810.21105/joss.05927https://doi.org/10.5281/zenodo.10819242Pythonhttps://joss.theoj.org/papers/10.21105/joss.05927.pdfRobotics, Jacobian, Kinematicstag:joss.theoj.org,2005:Paper/46292024-03-16T22:48:59Z2024-03-17T00:00:58ZFeenoX: a cloud-first finite-element(ish) computational engineering toolacceptedv0.32023-07-27 16:01:35 UTC952024-03-16 22:48:59 UTC920245846JeremyThelerSeamplex, Argentina, Instituto Balseiro, Argentina0000-0002-4142-498010.21105/joss.05846https://doi.org/10.5281/zenodo.10819606M4, C, GLSLhttps://joss.theoj.org/papers/10.21105/joss.05846.pdfengineering, partial differential equations, differential algebraic equationstag:joss.theoj.org,2005:Paper/48622024-03-05T15:11:10Z2024-03-06T16:03:15ZPDOPT: A Python library for Probabilistic Design space exploration and OPTimisationacceptedv0.452023-10-23 15:08:48 UTC952024-03-05 15:11:10 UTC920246110AndreaSpinelliCentre for Propulsion and Thermal Power, Cranfield University, MK430AL, UK0000-0002-3064-3387TimoleonKipourosCentre for Propulsion and Thermal Power, Cranfield University, MK430AL, UK0000-0003-3392-283X10.21105/joss.06110https://doi.org/10.5281/zenodo.10732017Pythonhttps://joss.theoj.org/papers/10.21105/joss.06110.pdfComputational Engineering, Design Space Exploration, Set-Based Design, Design Uncertainty, Multi-Objective Optimizationtag:joss.theoj.org,2005:Paper/44002024-03-05T10:10:26Z2024-03-06T00:00:49ZWorldDynamics.jl: A Julia Package for Developing and Simulating Integrated Assessment Modelsacceptedv0.4.22023-04-13 20:15:11 UTC952024-03-05 10:10:26 UTC920245772PierluigiCrescenziGran Sasso Science Institute, L’Aquila, Italy, COATI, INRIA d’Université Côte d’Azur, Sophia Antipolis, France0000-0001-8789-3195EmanueleNataleCOATI, INRIA d’Université Côte d’Azur, Sophia Antipolis, France0000-0002-8755-3892AuroraRossiCOATI, INRIA d’Université Côte d’Azur, Sophia Antipolis, France0009-0001-3302-0468PauloBrunoSerafimGran Sasso Science Institute, L’Aquila, Italy0000-0002-5980-814910.21105/joss.05772https://doi.org/10.5281/zenodo.10684579Juliahttps://joss.theoj.org/papers/10.21105/joss.05772.pdfIntegrated Assessment Model, Modeling and Simulation, Scientific Computingtag:joss.theoj.org,2005:Paper/46922024-03-01T08:15:12Z2024-03-05T12:14:06ZΦ-ML: Intuitive Scientific Computing with Dimension Types for Jax, PyTorch, TensorFlow & NumPyacceptedv1.0.02023-08-11 11:05:07 UTC952024-03-01 08:15:12 UTC920246171PhilippHollSchool of Computation, Information and Technology, Technical University of Munich, Germany0000-0001-9246-5195NilsThuereySchool of Computation, Information and Technology, Technical University of Munich, Germany0000-0001-6647-891010.21105/joss.06171https://doi.org/10.6084/m9.figshare.25282300Python, C++https://joss.theoj.org/papers/10.21105/joss.06171.pdfMachine Learning, Jax, TensorFlow, PyTorch, NumPy, Differentiable simulations, Sparse linear systems, Preconditionerstag:joss.theoj.org,2005:Paper/50422024-02-09T13:51:24Z2024-02-10T00:01:17Zelsa: an elegant framework for tomographic reconstructionaccepted0.8.02023-12-20 14:16:50 UTC942024-02-09 13:51:24 UTC920246174DavidFrankDepartment of Computer Science, TUM School of Computation, Information and Technology, Technical University of Munich, Munich, Germany, Munich Institute of Biomedical Engineering, Technical University of Munich, Munich, Germany0009-0006-4989-2144JonasJeltenDepartment of Computer Science, TUM School of Computation, Information and Technology, Technical University of Munich, Munich, Germany, Munich Institute of Biomedical Engineering, Technical University of Munich, Munich, Germany0000-0002-5167-2419TobiasLasserDepartment of Computer Science, TUM School of Computation, Information and Technology, Technical University of Munich, Munich, Germany, Munich Institute of Biomedical Engineering, Technical University of Munich, Munich, Germany0000-0001-5669-920X10.21105/joss.06174https://doi.org/10.5281/zenodo.10609174Python, C++, JavaScripthttps://joss.theoj.org/papers/10.21105/joss.06174.pdfComputed Tomography, X-ray Computed Tomography, Tomography, Tomographic Reconstruction, Inverse Problems, Software Frameworktag:joss.theoj.org,2005:Paper/47172024-02-07T21:21:42Z2024-02-14T14:53:20ZCLEAVING: a LAMMPS package to compute surface free energiesacceptedv1.0.02023-08-24 09:40:12 UTC942024-02-07 21:21:42 UTC920245886NicodemoDi PasqualeDepartment of Chemical Engineering, Brunel University London, United Kingdom, (Current affiliation) Department of Industrial Chemistry, University of Bologna, Italy0000-0001-5676-8527RuslanDavidchackDepartment of Mathematics, University of Leicester, United Kingdom0000-0001-9418-5322LorenzoRovigattiDepartment of Physics, Sapienza University of Rome, Italy, CNR-ISC UoS Sapienza, Rome, Italy0000-0001-5017-282910.21105/joss.05886https://doi.org/10.5281/zenodo.10567702C++, Python, Fortranhttps://joss.theoj.org/papers/10.21105/joss.05886.pdfLAMMPS, Molecular simulations, Phase Transitionstag:joss.theoj.org,2005:Paper/47512024-02-06T01:10:32Z2024-02-07T00:00:42ZOpyrability: A Python package for process operability analysisacceptedv1.4.32023-09-12 17:47:45 UTC942024-02-06 01:10:32 UTC920245966VictorAlvesDepartment of Chemical and Biomedical Engineering, West Virginia University, Morgantown, West Virginia, USASanDinhDepartment of Chemical and Biomedical Engineering, West Virginia University, Morgantown, West Virginia, USA, Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania, USAJohnR.KitchinDepartment of Chemical Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania, USAVitorGazzaneoDepartment of Chemical and Biomedical Engineering, West Virginia University, Morgantown, West Virginia, USAJuanC.CarrascoDepartment of Chemical Engineering, Universidad de Concepción, Concepción, ChileFernandoV.LimaDepartment of Chemical and Biomedical Engineering, West Virginia University, Morgantown, West Virginia, USA10.21105/joss.05966https://doi.org/10.5281/zenodo.10620959Pythonhttps://joss.theoj.org/papers/10.21105/joss.05966.pdfProcess systems engineering, Process operability, Process design and control, Computational geometry, Nonlinear optimizationtag:joss.theoj.org,2005:Paper/49472024-01-24T17:19:02Z2024-02-25T07:02:22ZViash: A meta-framework for building reusable workflow modulesaccepted0.8.12023-11-21 12:26:06 UTC932024-01-24 17:19:02 UTC920246089RobrechtCannoodtData Intuitive, Lebbeke, Belgium, Data Mining and Modelling for Biomedicine group, VIB Center for Inflammation Research, Ghent, Belgium, Department of Applied Mathematics, Computer Science, and Statistics, Ghent University, Ghent, Belgium0000-0003-3641-729XHendrikCannoodtData Intuitive, Lebbeke, Belgium0000-0002-0032-6719DriesSchaumontData Intuitive, Lebbeke, Belgium0000-0002-4389-0440KaiWaldrantData Intuitive, Lebbeke, Belgium0009-0003-8555-1361EricVan de KerckhoveData Intuitive, Lebbeke, BelgiumAndyBoschmansData Intuitive, Lebbeke, Belgium0009-0008-8793-4661DriesDe MaeyerDiscovery Technology and Molecular Pharmacology, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse, Belgium0000-0002-1314-3348ToniVerbeirenData Intuitive, Lebbeke, Belgium0000-0002-7007-686610.21105/joss.06089https://doi.org/10.5281/zenodo.10563479Scala, Nextflowhttps://joss.theoj.org/papers/10.21105/joss.06089.pdfBioinformatics, Workflows, Software development, Reproducibility, Cloud computing, Docker