tag:joss.theoj.org,2005:/papers/reviewed_by/@malramsay64Journal of Open Source Software2020-07-28T18:24:07ZJournal of Open Source Softwarehttps://joss.theoj.orgtag:joss.theoj.org,2005:Paper/16942020-07-28T18:24:07Z2021-02-15T11:30:37ZHOOMD-TF: GPU-Accelerated, Online Machine Learning in the HOOMD-blue Molecular Dynamics Engineacceptedv0.62020-05-27 21:16:20 UTC512020-07-28 18:24:07 UTC520202367RainierBarrettUniversity of Rochester Chemical Engineering Department, Rochester, New York, United States of America0000-0002-5728-9074MaghesreeChakrabortyUniversity of Rochester Chemical Engineering Department, Rochester, New York, United States of America0000-0001-5706-3027DilnozaB.AmirkulovaUniversity of Rochester Chemical Engineering Department, Rochester, New York, United States of America0000-0001-6961-3081HetaA.GandhiUniversity of Rochester Chemical Engineering Department, Rochester, New York, United States of America0000-0002-9465-3840GeemiP.WellawatteUniversity of Rochester Chemistry Department, Rochester, New York, United States of America0000-0002-3772-6927AndrewD.WhiteUniversity of Rochester Chemical Engineering Department, Rochester, New York, United States of America0000-0002-6647-396510.21105/joss.02367https://doi.org/10.5281/zenodo.3962305C++, Cuda, Pythonhttps://joss.theoj.org/papers/10.21105/joss.02367.pdfmolecular dynamics, machine learningtag:joss.theoj.org,2005:Paper/15392020-03-30T20:54:47Z2021-02-15T11:30:55ZPyZFS: A Python package for first-principles calculations of zero-field splitting tensorsacceptedv1.02020-03-02 20:58:13 UTC472020-03-30 20:54:47 UTC520202160HeMaDepartment of Chemistry, University of Chicago, Chicago, IL 60637, USA, Materials Science Division and Center for Molecular Engineering, Argonne National Laboratory, Lemont, IL 60439, USA0000-0001-8987-8562MarcoGovoniMaterials Science Division and Center for Molecular Engineering, Argonne National Laboratory, Lemont, IL 60439, USA, Pritzker School of Molecular Engineering, University of Chicago, Chicago, IL 60637, USA0000-0001-6303-2403GiuliaGalliDepartment of Chemistry, University of Chicago, Chicago, IL 60637, USA, Pritzker School of Molecular Engineering, University of Chicago, Chicago, IL 60637, USA, Materials Science Division and Center for Molecular Engineering, Argonne National Laboratory, Lemont, IL 60439, USA0000-0002-8001-529010.21105/joss.02160https://doi.org/10.5281/zenodo.3728346Pythonhttps://joss.theoj.org/papers/10.21105/joss.02160.pdfmaterials science, electron spin, zero field splitting, density functional theory, point defectstag:joss.theoj.org,2005:Paper/5512018-08-27T23:04:11Z2021-02-15T11:33:13Ztidynamics: A tiny package to compute the dynamics of stochastic and molecular simulationsaccepted0.1.22018-07-15 20:01:33 UTC282018-08-27 23:04:11 UTC32018877Pierrede BuylInstituut voor Theoretische Fysica, KU Leuven, B-3001 Leuven, Belgium0000-0002-6640-646310.21105/joss.00877https://doi.org/10.5281/zenodo.1404296Pythonhttps://joss.theoj.org/papers/10.21105/joss.00877.pdfphysics, time series, stochastic processes