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most citedOrbNet: Deep Learning for Quantum Chemistry Using Symmetry-Adapted Atomic-Orbital Features

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cond-mat.stat-mech2008★ 42 cited

Isomorphic classical molecular dynamics model for an excess electron in a supercritical fluid

Thomas F. Miller

Ring polymer molecular dynamics (RPMD) is used to directly simulate the dynamics of an excess electron in a supercritical fluid over a broad range of densities. The accuracy of the…