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Modeling of Reversible Solid Oxide Cell Stacks with an Open-Source Library2022 Journal of The Electrochemical Society article Materials Science Advancements in Solid Oxide Fuel Cells Open access
Shidong Zhang, Roland Peters, Bob Austin Varghese, Robert Deja, Nicolas Kruse, Steven Beale, +3 more
13citations -
SALTED: a symmetry-adapted machine-learning program for predicting electron-densities in molecules and materials2026 arXiv (Cornell University) preprint Materials Science Machine Learning in Materials Science Open access
Zekun Lou, Alan M. Lewis, T. Bernhard, Lukas Seifert, Agustin Salcedo, Florian Kleemiss, +2 more
0citations -
Common workflows for computing material properties using different quantum engines2021 npj Computational Materials article Materials Science Machine Learning in Materials Science Open access
Sebastiaan P. Huber, Emanuele Bosoni, Marnik Bercx, Augustin Degomme, Vladimir Dikan, Kristjan Eimre, +19 more
40citations -
Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps2020 Computational Materials Science article Materials Science Fusion materials and technologies Open access
Julien Guénolé, Wolfram G. Nöhring, Aviral Vaid, Frédéric Houllé, Zhuocheng Xie, Aruna Prakash, +1 more
242citations
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