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Department of Chemistry, New York University, New York, NY 10003, USA, Courant Institute of Mathematical Sciences, New York University, New York, NY 10012, USA, NYU-ECNU Center for Computational Chemistry at NYU Shanghai, 3663 Zhongshan Road North, Shanghai 200062, China
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Unlock spectroscopic and electronic observables in large-scale molecular simulations by learning the electron density directly, paving the way for more comprehensive and transferable machine-learned interatomic potentials.