@misc{indiciaef17cd4ed9f7c,
  title = {Atomate2: modular workflows for materials science},
  author = {Ganose, Alex M. [Imperial College, London (United Kingdom)] (ORCID:0000000244863321) and Sahasrabuddhe, Hrushikesh [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000173464568) and Asta, Mark [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] and Beck, Kevin [Univ. of Arizona, Tucson, AZ (United States)] and Biswas, Tathagata [Universite Catholique de Louvain, Louvain-la-Neuve (Belgium)] (ORCID:0000000332482254) and Bonkowski, Alexander [RWTH Aachen Univ. (Germany)] and Bustamante, Joana [Federal Institute for Materials Research and Testing (BAM), Berlin (Germany)] (ORCID:0000000254693813) and Chen, Xin [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] and Chiang, Yuan [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] and Chrzan, Daryl C. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] and Clary, Jacob [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] and Cohen, Orion A. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)] and Ertural, Christina [Federal Institute for Materials Research and Testing (BAM), Berlin (Germany)] (ORCID:0000000276965824) and Gallant, Max C. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] and George, Janine [Federal Institute for Materials Research and Testing (BAM), Berlin (Germany); Friedrich Schiller Univ., Jena (Germany)] (ORCID:0000000189070336) and Gerits, Sophie [Univ. of Colorado, Boulder, CO (United States)] and Goodall, Rhys E. A. [Radical AI, Inc., New York, NY (United States)] and Guha, Rishabh D. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000319776039) and Hautier, Geoffroy [Dartmouth College, Hanover, NH (United States)] and Horton, Matthew [Microsoft Research AI for Science (United States)] and Inizan, T. J. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)] and Kaplan, Aaron D. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000334394856) and Kingsbury, Ryan S. [Princeton Univ., NJ (United States)] (ORCID:0000000271683967) and Kuner, Matthew C. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] and Li, Bryant [Univ. of California, Berkeley, CA (United States)] (ORCID:000000015482509X) and Linn, Xavier [Univ. of California, Berkeley, CA (United States)] and McDermott, Matthew J. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000240713000) and Mohanakrishnan, Rohith Srinivaas [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] and Naik, Aakash N. [Federal Institute for Materials Research and Testing (BAM), Berlin (Germany); Friedrich Schiller Univ., Jena (Germany)] (ORCID:0000000260716786) and 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)] and Parmar, Shehan M. [Georgia Institute of Technology, Atlanta, GA (United States)] (ORCID:0000000220330862) and Persson, Kristin A. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000324955509) and Petretto, Guido [Universite Catholique de Louvain, Louvain-la-Neuve (Belgium); Matgenix SRL, Charleroi (Belgium). A6K Advanced Engineering Centre] and Purcell, Thomas A. R. [Univ. of Arizona, Tucson, AZ (United States); Fritz Haber Institute of the Max Planck Society, Berlin (Germany)] (ORCID:0000000345647206) and 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) and Rich, Benjamin [Univ. of Colorado, Boulder, CO (United States)] (ORCID:0000000328875944) and 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) and 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) and Rosen, Andrew S. [Princeton Univ., NJ (United States)] (ORCID:0000000201417006) and Scheffler, Matthias [Fritz Haber Institute of the Max Planck Society, Berlin (Germany)] and Schmidt, Jonathan [Eidgenoessische Technische Hochschule (ETH), Zurich (Switzerland)] (ORCID:0000000156856404) and Shen, Jimmy-Xuan [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] and Sobolev, Andrei [Fritz Haber Institute of the Max Planck Society, Berlin (Germany); Molecular Simulations from First Principles – MS1P e.V., Berlin (Germany)] and Sundararaman, Ravishankar [Rensselaer Polytechnic Inst., Troy, NY (United States)] (ORCID:0000000206254592) and Tezak, Cooper [Univ. of Colorado, Boulder, CO (United States)] and Trinquet, Victor [Universite Catholique de Louvain, Louvain-la-Neuve (Belgium)] (ORCID:0009000121884824) and Varley, Joel B. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] and Vigil-Fowler, Derek [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] and Wang, Duo [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] and Waroquiers, David [Universite Catholique de Louvain, Louvain-la-Neuve (Belgium); Matgenix SRL, Charleroi (Belgium). A6K Advanced Engineering Centre] and Wen, Mingjian [Univ. of Electronic Science and Technology of China, Chengdu (China)] (ORCID:000000030013575X) and Yang, Han [Microsoft Research AI for Science (United States)] and Zheng, Hui [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] and Zheng, Jiongzhi [Dartmouth College, Hanover, NH (United States)] (ORCID:0000000198417477) and Zhu, Zhuoying [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] and Jain, Anubhav [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]},
  year = {2025},
  doi = {10.1039/d5dd00019j},
  url = {https://www.osti.gov/biblio/2574741},
  note = {Source identifier: 2574741}
}