RESEARCH PAPER · Digital Discovery · 2025
Atomate2: modular workflows for materials science
Alex M. Ganose, Hrushikesh P. Sahasrabuddhe, Mark Asta, Kevin Beck, Tathagata Biswas, Alexander Bonkowski, Joana Bustamante, Xin Chen, Yuan Chiang, D. C. Chrzan, Jacob M. Clary, Orion Cohen, Christina Ertural, Max C. Gallant, Janine George, Sophie Gerits, Rhys E. A. Goodall, Rishabh D. Guha, Geoffroy Hautier, Matthew K. Horton, Théo Jaffrelot Inizan, Aaron D. Kaplan, Ryan Kingsbury, Matthew C. Kuner, Bryant Y. Li, Xavier Linn, Matthew J. McDermott, Rohith Srinivaas Mohanakrishnan, Aakash Ashok Naik, Jeffrey B. Neaton, Shehan M. Parmar, Kristin Aslaug Persson, Guido Petretto, Thomas A. R. Purcell, Francesco Ricci, Benjamin Rich, Janosh Riebesell, Gian‐Marco Rignanese, Andrew Rosen, Matthias Scheffler, Jonathan Schmidt, Jimmy‐Xuan Shen, Andrei Sobolev, Ravishankar Sundararaman, Cooper R. Tezak, Victor Trinquet, Joel Basile Varley, Derek Vigil‐Fowler, Duo Wang, David Waroquiers, Mingjian Wen, Han Yang, Hui Zheng, Jiongzhi Zheng, Zhuoying Zhu, Anubhav Jain
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