Correction: Atomate2: modular workflows for materials science

Alex M. Ganose; Hrushikesh Sahasrabuddhe; Mark Asta; Kevin Beck; Tathagata Biswas; Alexander Bonkowski; Joana Bustamante; Xin Chen; Yuan Chiang; Daryl C. Chrzan; Jacob Clary; Orion A. Cohen; Christina Ertural; Max C. Gallant; Janine George; Sophie Gerits; Rhys E. A. Goodall; Rishabh D. Guha; Geoffroy Hautier; Matthew Horton; T. J. Inizan; Aaron D. Kaplan; Ryan S. Kingsbury; Matthew C. Kuner; Bryant Li; Xavier Linn; Matthew J. McDermott; Rohith Srinivaas Mohanakrishnan; Aakash A. Naik; Jeffrey B. Neaton; Shehan M. Parmar; Kristin A. Persson; Guido Petretto; Thomas A. R. Purcell; Francesco Ricci; Benjamin Rich; Janosh Riebesell; Gian-Marco Rignanese; Andrew S. Rosen; Matthias Scheffler; Jonathan Schmidt; Jimmy-Xuan Shen; Andrei Sobolev; Ravishankar Sundararaman; Cooper Tezak; Victor Trinquet; Joel B. Varley; Derek Vigil-Fowler; Duo Wang; David Waroquiers; Mingjian Wen; Han Yang; Hui Zheng; Jiongzhi Zheng; Zhuoying Zhu; Anubhav Jain

doi:10.1039/D5DD90036K

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DOI: 10.1039/D5DD90036K (Correction) Digital Discovery, 2025, 4, 2639-2640

Correction: Atomate2: modular workflows for materials science

Alex M. Ganose *^a, Hrushikesh Sahasrabuddhe ^bc, Mark Asta ^bd, Kevin Beck ^e, Tathagata Biswas ^f, Alexander Bonkowski ^g, Joana Bustamante ^h, Xin Chen ^bc, Yuan Chiang ^bd, Daryl C. Chrzan ^bd, Jacob Clary ⁱ, Orion A. Cohen ^dq, Christina Ertural ^h, Max C. Gallant ^bd, Janine George ^hk, Sophie Gerits ^l, Rhys E. A. Goodall ^m, Rishabh D. Guha ^d, Geoffroy Hautier ⁿ, Matthew Horton ^o, T. J. Inizan ^dqaf, Aaron D. Kaplan ^d, Ryan S. Kingsbury ^p, Matthew C. Kuner ^bd, Bryant Li ^b, Xavier Linn ^q, Matthew J. McDermott ^d, Rohith Srinivaas Mohanakrishnan ^bd, Aakash A. Naik ^hk, Jeffrey B. Neaton ^drs, Shehan M. Parmar ^ae, Kristin A. Persson ^bd, Guido Petretto ^ft, Thomas A. R. Purcell ^uv, Francesco Ricci ^dft, Benjamin Rich ^w, Janosh Riebesell ^dmx, Gian-Marco Rignanese ^fty, Andrew S. Rosen ^z, Matthias Scheffler ^v, Jonathan Schmidt ^j, Jimmy-Xuan Shen ^aa, Andrei Sobolev ^vab, Ravishankar Sundararaman ^ac, Cooper Tezak ^l, Victor Trinquet ^f, Joel B. Varley ^aa, Derek Vigil-Fowler ⁱ, Duo Wang ^c, David Waroquiers ^ft, Mingjian Wen ^ad, Han Yang ^o, Hui Zheng ^d, Jiongzhi Zheng ⁿ, Zhuoying Zhu ^c and Anubhav Jain *^c
^aDepartment of Chemistry, Imperial College London, London W12 0BZ, UK. E-mail: a.ganose@imperial.ac.uk
^bDepartment of Materials Science and Engineering, University of California, Berkeley, California 94720, USA
^cEnergy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. E-mail: ajain@lbl.gov
^dMaterials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
^eProgram in Applied Mathematics, University of Arizona, 617 N. Santa Rita, Tucson, Arizona 85721, USA
^fUCLouvain, Institut de la Matière Condensée et des Nanosciences, Université catholique de Louvain, Chemin des Étoiles 8, Louvain-la-Neuve 1348, Belgium
^gInstitute of Physical Chemistry, RWTH Aachen University, 52074 Aachen, Germany
^hDepartment Materials Chemistry, Federal Institute for Materials Research and Testing (BAM), Berlin, Germany
ⁱNational Renewable Energy Laboratory, Golden, Colorado 80401, USA
^jDepartment of Materials, ETH Zürich, Zürich, CH-8093, Switzerland
^kInstitute of Condensed Matter Theory and Solid-State Optics, Friedrich Schiller University Jena, Jena, Germany
^lDepartment of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, Colorado 80302, USA
^mRadical AI, Inc., New York City, NY, USA
ⁿThayer School of Engineering, Dartmouth College, Hanover, NH 03755, USA
^oMicrosoft Research AI for Science, USA
^pDepartment of Civil and Environmental Engineering, The Andlinger Center for Energy and the Environment, Princeton University, Princeton, NJ, USA
^qCollege of Chemistry, University of California, Berkeley, CA 94720, USA
^rDepartment of Physics, University of California, Berkeley, CA 94720, USA
^sKavli Energy NanoSciences Institute at Berkeley, Berkeley, CA, USA
^tMatgenix SRL, A6K Advanced Engineering Centre, Square des Martyrs 1, 6000 Charleroi, Belgium
^uDepartment of Chemistry and Biochemistry, University of Arizona, 1306 East University Boulevard, Tucson, Arizona 85721, USA
^vThe NOMAD Laboratory, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4–6, D-14195 Berlin, Germany
^wDepartment of Chemistry, University of Colorado Boulder, Boulder, Colorado 80302, USA
^xCavendish Laboratory, University of Cambridge, J. J. Thomson Ave, Cambridge, UK
^yWEL Research Institute, Avenue Pasteur 6, 1300 Wavre, Belgium
^zDepartment of Chemical and Biological Engineering, Princeton University, Princeton, NJ, USA
^aaLawrence Livermore National Laboratory, Livermore, CA 94551, USA
^abMolecular Simulations from First Principles – MS1P e.V., Clayallee 167, 14195 Berlin, Germany
^acDepartment of Materials Science of Engineering, Rensselaer Polytechnic Institute, Troy, New York, USA
^adInstitute of Fundamental and Frontier Sciences, University of Electronic Science and Technology of China, Chengdu 610054, China
^aeSchool of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332, USA
^afBakar Institute of Digital Materials for the Planet, University of California, Berkeley, CA 94720, USA

Received 7th August 2025 , Accepted 7th August 2025

First published on 18th August 2025

Abstract

Correction for “Atomate2: modular workflows for materials science” by Alex M. Ganose et al., Digital Discovery, 2025, 4, 1944–1973, https://doi.org/10.1039/D5DD00019J.

There is an error in Aakash Naik name in the author list of the original manuscript. The correct name, as given in the author list of this Correction, is “Aakash A. Naik”.

The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.

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