An integrated neural wavefunction solver for spinful Fermi systems

2025/10/21 by Alexander Avdoshkin, Avdoshkin, Alexander, Max Geier +3
Physics and Astronomy · #FOS: Physical sciences #Quantum Physics (quant-ph) #Quantum and electron transport phenomena #Quantum many-body systems #Topological Materials and Phenomena

paper · pdf · doi:10.48550/arxiv.2510.18621

openalex publication_date 2025/10/21 · openalex created_date 2025/10/24 · openalex updated_date 2026/07/28

Abstract

We present an approach to solving the ground state of Fermi systems that contain spin or other discrete degrees of freedom in addition to continuous coordinates. The approach combines a Markov chain Monte Carlo sampling for energy estimation that we adapted to cover the extended configuration space with a transformer-based wavefunction to represent fermionic states. This sampling is necessary when the Hamiltonian contains explicit spin dependence and, for spin-independent Hamiltonians, we find that the inclusion of spin updates leads to faster convergence to an antiferromagnetic ground state. A transformer with both continuous position and discrete spin as inputs achieves universal approximation to spinful generalized orbitals. We validate the method on a range of two-dimensional material problems: a two-dimensional electron gas with Rashba spin-orbit coupling, a noncollinear spin texture, and a quantum antiferromagnet in a honeycomb moiré potential.

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