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arXiv · 2408.16915

SOLAX: A Python solver for fermionic quantum systems with neural network support

Louis Thirion·Philipp Hansmann·Pavlo Bilous
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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.

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Louis Thirion, Philipp Hansmann, Pavlo Bilous. 2025-01-08. SOLAX: A Python solver for fermionic quantum systems with neural network support. https://doi.org/10.21468/scipostphyscodeb.51

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