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cond-mat.mtrl-sci2024★ 8 cited
SynCoTrain: A Dual Classifier PU-learning Framework for Synthesizability Prediction
Sasan Amariamir, Janine George, Philipp Benner
Material discovery is a cornerstone of modern science, driving advancements in diverse disciplines from biomedical technology to climate solutions. Predicting synthesizability, a c…
physics.chem-ph2024
A foundation model for atomistic materials chemistry
Ilyes Batatia, Philipp Benner, Yuan Chiang +85
Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much…