arXiv:2603. 02346v2 Announce Type: replace-cross Abstract: We introduce Large Electron Model, a single neural network model that produces variational wavefunctions of interacting electrons over the entire Hamiltonian parameter manifold.
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arXiv:2606. 15983v1 Announce Type: cross Abstract: Recent theoretical progress has established conditions under which machine learning models can efficiently predict ground-state properties of gapped local Hamiltonians when trained on quantum-generated data.
arXiv:2609.14906v1 Announce Type: cross Abstract: The Hohenberg-Kohn theorem establishes that, in principle, the ground state (GS) charge density contains all GS information of a many-electron system...
arXiv:2609.22342v1 Announce Type: cross Abstract: Neural networks provide expressive representations for scientific computing. However, even sufficiently expressive networks can suffer training failu...
arXiv:2507. 03853v2 Announce Type: replace Abstract: We introduce OrbitAll, a geometry- and physics-informed deep learning framework that encodes any molecular system with arbitrary charges, spins, and environmental effects using electronic structure information.
arXiv:2607. 18281v1 Announce Type: cross Abstract: Finding exact solutions to the quantum many-body problem is computationally intractable (QMA-hard).
arXiv:2509.21624v4 Announce Type: replace Abstract: Molecular Hessians, the second derivatives of the potential energy, are fundamental to many workflows in computational chemistry. Usually, accurate...