Large Electron Model: A Universal Ground State Predictor

• URL: http://arxiv.org/abs/2603.02346v1
• Date: Mon, 02 Mar 2026 19:29:12 GMT
• Title: Large Electron Model: A Universal Ground State Predictor
• Authors: Timothy Zaklama, Max Geier, Liang Fu,
• Abstract summary: We introduce a single neural network model that produces variational wavefunctions of interacting electrons over the entire Hamiltonian parameter manifold.<n>Our results establish a foundation model method for material discovery that is grounded in the variational principle.
• Score: 0.0
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: We introduce Large Electron Model, a single neural network model that produces variational wavefunctions of interacting electrons over the entire Hamiltonian parameter manifold. Our model employs the Fermi Sets architecture, a universal representation of many-body fermionic wavefunctions, which is further conditioned on Hamiltonian parameter and particle number. On interacting electrons in a two-dimensional harmonic potential, a single trained model accurately predicts the ground state wavefunction while generalizing across unseen coupling strengths and particle-number sectors, producing both accurate real-space charge densities and ground state energies, even up to $50$ particles. Our results establish a foundation model method for material discovery that is grounded in the variational principle, while accurately treating strong electron correlation beyond the capacity of density functional theory.

Related papers

• Acceleration of Atomistic NEGF: Algorithms, Parallelization, and Machine Learning [61.12861060232382]
  The Non-equilibrium Green's function (NEGF) formalism is a powerful method to simulate the quantum transport properties of nanoscale devices.<n>This paper summarizes key (algorithmic) achievements that have allowed us to bring DFT+NEGF simulations closer to the dimensions and functionality of realistic systems.
  arXiv  Detail & Related papers  (2026-02-03T12:01:39Z)
• Multi-Photon Quantum Rabi Models with Center-of-Mass Motion [45.73541813564926]
  We introduce a rigorous, second-quantized framework for describing multi-$Lambda$-atoms in a cavity.<n>A key feature of our approach is the systematic application of a Hamiltonian averaging theory to the atomic field operators.<n>A significant finding is the emergence of a particle-particle interaction mediated by ancillary states.
  arXiv  Detail & Related papers  (2025-07-07T09:50:48Z)
• Exotic Harmonium Model: Exploring Correlation Effects of Attractive Coulomb Interaction [0.0]
  We introduce an analogous model consisting of an electron and a positively charged particle (PCP) with variable mass.<n>Termed the exotic Harmonium model, this provides insights into the electron-PCP correlations.<n>Overall, the exotic Harmonium model offers a powerful framework to unravel the electron-PCP correlations across diverse systems.
  arXiv  Detail & Related papers  (2025-05-15T16:10:39Z)
• Electron-Electron Interactions in Device Simulation via Non-equilibrium Green's Functions and the GW Approximation [71.63026504030766]
  electron-electron (e-e) interactions must be explicitly incorporated in quantum transport simulation.<n>This study is the first one reporting large-scale atomistic quantum transport simulations of nano-devices under non-equilibrium conditions.
  arXiv  Detail & Related papers  (2024-12-17T15:05:33Z)
• Quench dynamics in higher-dimensional Holstein models: Insights from Truncated Wigner Approaches [41.94295877935867]
  We study the melting of charge-density waves in a Holstein model after a sudden switch-on of the electronic hopping. A comparison with exact data obtained for a Holstein chain shows that a semiclassical treatment of both the electrons and phonons is required in order to correctly describe the phononic dynamics.
  arXiv  Detail & Related papers  (2023-12-19T16:14:01Z)
• Deterministic Quantum Field Trajectories and Macroscopic Effects [0.0]
  The root to macroscopic quantum effects is revealed based on the quasiparticle model of collective excitations in an arbitrary degenerate electron gas. It is remarked that any quantum many body system composed of large number of interacting particles acts as a dual arm device controlling the microscopic single particle effects with one hand and the macroscopic phenomena with the other.
  arXiv  Detail & Related papers  (2023-11-16T06:23:09Z)
• Coulomb interaction-driven entanglement of electrons on helium [0.0]
  We theoretically investigate the generation of emphmotional entanglement between two electrons via their unscreened Coulomb interaction. We compute the motional energy spectra of the electrons, as well as their entanglement, by diagonalizing the model Hamiltonian with respect to a single-particle Hartree product basis. In particular, the theoretical tools developed here can be used for fine tuning and optimization of control parameters in future experiments with electrons trapped above the surface of superfluid helium or solid neon.
  arXiv  Detail & Related papers  (2023-10-07T21:40:20Z)
• Message-Passing Neural Quantum States for the Homogeneous Electron Gas [41.94295877935867]
  We introduce a message-passing-neural-network-based wave function Ansatz to simulate extended, strongly interacting fermions in continuous space. We demonstrate its accuracy by simulating the ground state of the homogeneous electron gas in three spatial dimensions.
  arXiv  Detail & Related papers  (2023-05-12T04:12:04Z)
• Higher-order topological Peierls insulator in a two-dimensional atom-cavity system [58.720142291102135]
  We show how photon-mediated interactions give rise to a plaquette-ordered bond pattern in the atomic ground state. The pattern opens a non-trivial topological gap in 2D, resulting in a higher-order topological phase hosting corner states. Our work shows how atomic quantum simulators can be harnessed to investigate novel strongly-correlated topological phenomena.
  arXiv  Detail & Related papers  (2023-05-05T10:25:14Z)
• Stochastic Variational Approach to Small Atoms and Molecules Coupled to Quantum Field Modes [55.41644538483948]
  We present a variational calculation (SVM) of energies and wave functions of few particle systems coupled to quantum fields in cavity QED. Examples for a two-dimensional trion and confined electrons as well as for the He atom and the Hydrogen molecule are presented.
  arXiv  Detail & Related papers  (2021-08-25T13:40:42Z)
• Graph Neural Network for Hamiltonian-Based Material Property Prediction [56.94118357003096]
  We present and compare several different graph convolution networks that are able to predict the band gap for inorganic materials. The models are developed to incorporate two different features: the information of each orbital itself and the interaction between each other. The results show that our model can get a promising prediction accuracy with cross-validation.
  arXiv  Detail & Related papers  (2020-05-27T13:32:10Z)
• Light-matter hybrid-orbital-based first-principles methods: the influence of the polariton statistics [0.0]
  We show the importance of the resulting hybrid Fermi-Bose statistics of the polaritons. We also present a general prescription how to extend a given first-principles approach to polaritons. We find that the more delocalized the bound-state wave function of the particles is, the stronger it reacts to photons.
  arXiv  Detail & Related papers  (2020-05-05T09:01:28Z)

This list is automatically generated from the titles and abstracts of the papers in this site.

This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.