SOLAX: A Python solver for fermionic quantum systems with neural network support
Open Access
- 20 February 2025
- journal article
- Published by Stichting SciPost in SciPost Physics Codebases
- p. 051
Abstract
Numerical modeling of fermionic many-body quantum systems presents similar challenges across various research domains, necessitating universal tools, including state-of-the-art machine learning techniques. Here, we introduce SOLAX, a Python library designed to compute and analyze fermionic quantum systems using the formalism of second quantization. SOLAX provides a modular framework for constructing and manipulating basis sets, quantum states, and operators, facilitating the simulation of electronic structures and determining many-body quantum states in finite-size Hilbert spaces. The library integrates machine learning capabilities to mitigate the exponential growth of Hilbert space dimensions in large quantum clusters. The core low-level functionalities are implemented using the recently developed Python library JAX. Demonstrated through its application to the Single Impurity Anderson Model, SOLAX offers a flexible and powerful tool for researchers addressing the challenges of many-body quantum systems across a broad spectrum of fields, including atomic physics, quantum chemistry, and condensed matter physics.Keywords
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Funding Information
- Friedrich-Alexander-Universität Erlangen-Nürnberg
- QuantERA
This publication has 40 references indexed in Scilit:
- The sign problem in quantum Monte Carlo simulations2023
- Active Learning Configuration Interaction for Excited-State Calculations of Polycyclic Aromatic HydrocarbonsJournal of Chemical Theory and Computation, 2021
- Chembot: A Machine Learning Approach to Selective Configuration InteractionJournal of Chemical Theory and Computation, 2021
- Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI MethodJournal of Chemical Theory and Computation, 2020
- Electronic structure of the parent compound of superconducting infinite-layer nickelatesNature Materials, 2020
- Quantum Package 2.0: An Open-Source Determinant-Driven Suite of ProgramsJournal of Chemical Theory and Computation, 2019
- From quantum matter to high-temperature superconductivity in copper oxidesNature, 2015
- Molecular Electronic‐Structure Theory2000
- A full-configuration benchmark for the N2 moleculeChemical Physics Letters, 1999
- Monte Carlo Configuration InteractionJournal of Computational Physics, 1998