At DeepPsi we develop frontier AI for quantum science.

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.

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Computational discovery of magnetic materials remains challenging because magnetism arises from the competition between kinetic energy and Coulomb interaction that is often beyond the reach of standard electronic-structure methods. Here we tackle this challenge by directly solving the many-electron Schrödinger equation with neural-network variational Monte Carlo, which provides a highly expressive variational wavefunction for strongly correlated systems. Applying this technique to transition metal dichalcogenide moiré semicondutors, we predict itinerant ferromagnetism in WS_e2/WS₂ and an antiferromagnetic insulator in twisted Γ-valley homobilayer, using the same neural network without any physics input beyond the microscopic Hamiltonian. Crucially, both types of magnetic states are obtained from a single calculation within the S_z=0 sector, removing the need to compute and compare multiple S_z sectors. This significantly reduces computational cost and paves the way for faster and more reliable magnetic material design.

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When does a fractional quantum Hall (FQH) liquid crystallize? Addressing this question requires a framework that treats fractionalization and crystallization on equal footing, especially in strong Landau-level mixing regime. Here, we introduce MagNet, a self-attention neural-network variational wavefunction designed for quantum systems in magnetic fields on the torus geometry. We show that MagNet provides a unifying and expressive ansatz capable of describing both FQH states and electron crystals within the same architecture. Trained solely by energy minimization of the microscopic Hamiltonian, MagNet discovers topological liquid and electron crystal ground states across a broad range of Landau-level mixing. Our results highlight the power of first-principles AI for solving strongly interacting many-body problems and finding competing phases without external training data or physics pre-knowledge.

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