TY  - RPRT
TI  - Atomate2: modular workflows for materials science
AU  - Ganose, Alex M. [Imperial College, London (United Kingdom)] (ORCID:0000000244863321)
AU  - Sahasrabuddhe, Hrushikesh [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000173464568)
AU  - Asta, Mark [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]
AU  - Beck, Kevin [Univ. of Arizona, Tucson, AZ (United States)]
AU  - Biswas, Tathagata [Universite Catholique de Louvain, Louvain-la-Neuve (Belgium)] (ORCID:0000000332482254)
AU  - Bonkowski, Alexander [RWTH Aachen Univ. (Germany)]
AU  - Bustamante, Joana [Federal Institute for Materials Research and Testing (BAM), Berlin (Germany)] (ORCID:0000000254693813)
AU  - Chen, Xin [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]
AU  - Chiang, Yuan [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]
AU  - Chrzan, Daryl C. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]
AU  - Clary, Jacob [National Renewable Energy Laboratory (NREL), Golden, CO (United States)]
AU  - Cohen, Orion A. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)]
AU  - Ertural, Christina [Federal Institute for Materials Research and Testing (BAM), Berlin (Germany)] (ORCID:0000000276965824)
AU  - Gallant, Max C. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]
AU  - George, Janine [Federal Institute for Materials Research and Testing (BAM), Berlin (Germany); Friedrich Schiller Univ., Jena (Germany)] (ORCID:0000000189070336)
AU  - Gerits, Sophie [Univ. of Colorado, Boulder, CO (United States)]
AU  - Goodall, Rhys E. A. [Radical AI, Inc., New York, NY (United States)]
AU  - Guha, Rishabh D. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000319776039)
AU  - Hautier, Geoffroy [Dartmouth College, Hanover, NH (United States)]
AU  - Horton, Matthew [Microsoft Research AI for Science (United States)]
AU  - Inizan, T. J. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)]
AU  - Kaplan, Aaron D. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000334394856)
AU  - Kingsbury, Ryan S. [Princeton Univ., NJ (United States)] (ORCID:0000000271683967)
AU  - Kuner, Matthew C. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]
AU  - Li, Bryant [Univ. of California, Berkeley, CA (United States)] (ORCID:000000015482509X)
AU  - Linn, Xavier [Univ. of California, Berkeley, CA (United States)]
AU  - McDermott, Matthew J. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000240713000)
AU  - Mohanakrishnan, Rohith Srinivaas [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]
AU  - Naik, Aakash N. [Federal Institute for Materials Research and Testing (BAM), Berlin (Germany); Friedrich Schiller Univ., Jena (Germany)] (ORCID:0000000260716786)
AU  - Neaton, Jeffrey B. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States); Kavli Energy NanoScience Institute, Berkeley, CA (United States)]
AU  - Parmar, Shehan M. [Georgia Institute of Technology, Atlanta, GA (United States)] (ORCID:0000000220330862)
AU  - Persson, Kristin A. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000324955509)
AU  - Petretto, Guido [Universite Catholique de Louvain, Louvain-la-Neuve (Belgium); Matgenix SRL, Charleroi (Belgium). A6K Advanced Engineering Centre]
AU  - Purcell, Thomas A. R. [Univ. of Arizona, Tucson, AZ (United States); Fritz Haber Institute of the Max Planck Society, Berlin (Germany)] (ORCID:0000000345647206)
AU  - Ricci, Francesco [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Universite Catholique de Louvain, Louvain-la-Neuve (Belgium); Matgenix SRL, Charleroi (Belgium). A6K Advanced Engineering Centre] (ORCID:0000000226777227)
AU  - Rich, Benjamin [Univ. of Colorado, Boulder, CO (United States)] (ORCID:0000000328875944)
AU  - Riebesell, Janosh [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Radical AI, Inc., New York, NY (United States); Univ. of Cambridge (United Kingdom)] (ORCID:0000000152333462)
AU  - Rignanese, Gian-Marco [Universite Catholique de Louvain, Louvain-la-Neuve (Belgium); Matgenix SRL, Charleroi (Belgium). A6K Advanced Engineering Centre; WEL Research Institute, Wavre (Belgium)] (ORCID:0000000214221205)
AU  - Rosen, Andrew S. [Princeton Univ., NJ (United States)] (ORCID:0000000201417006)
AU  - Scheffler, Matthias [Fritz Haber Institute of the Max Planck Society, Berlin (Germany)]
AU  - Schmidt, Jonathan [Eidgenoessische Technische Hochschule (ETH), Zurich (Switzerland)] (ORCID:0000000156856404)
AU  - Shen, Jimmy-Xuan [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]
AU  - Sobolev, Andrei [Fritz Haber Institute of the Max Planck Society, Berlin (Germany); Molecular Simulations from First Principles – MS1P e.V., Berlin (Germany)]
AU  - Sundararaman, Ravishankar [Rensselaer Polytechnic Inst., Troy, NY (United States)] (ORCID:0000000206254592)
AU  - Tezak, Cooper [Univ. of Colorado, Boulder, CO (United States)]
AU  - Trinquet, Victor [Universite Catholique de Louvain, Louvain-la-Neuve (Belgium)] (ORCID:0009000121884824)
AU  - Varley, Joel B. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]
AU  - Vigil-Fowler, Derek [National Renewable Energy Laboratory (NREL), Golden, CO (United States)]
AU  - Wang, Duo [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]
AU  - Waroquiers, David [Universite Catholique de Louvain, Louvain-la-Neuve (Belgium); Matgenix SRL, Charleroi (Belgium). A6K Advanced Engineering Centre]
AU  - Wen, Mingjian [Univ. of Electronic Science and Technology of China, Chengdu (China)] (ORCID:000000030013575X)
AU  - Yang, Han [Microsoft Research AI for Science (United States)]
AU  - Zheng, Hui [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]
AU  - Zheng, Jiongzhi [Dartmouth College, Hanover, NH (United States)] (ORCID:0000000198417477)
AU  - Zhu, Zhuoying [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]
AU  - Jain, Anubhav [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]
PY  - 2025
DO  - 10.1039/d5dd00019j
UR  - https://www.osti.gov/biblio/2574741
ID  - 2574741
ER  -