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Predicting the structure of quantum many-body systems from the first principles of quantum mechanics is a common challenge in physics, chemistry, and material science. Deep machine learning has proven to be a powerful tool for solving…

Nuclear Theory · Physics 2023-04-05 Yilong Yang , Pengwei Zhao

Accurate ab initio calculations are of fundamental importance in physics, chemistry, biology, and materials science, which have witnessed rapid development in the last couple of years with the help of machine learning computational…

Chemical Physics · Physics 2022-10-27 Yubing Qian , Weizhong Fu , Weiluo Ren , Ji Chen

In this chapter, we describe three related studies of the universal physics of two-component unitary Fermi gases with resonant short-ranged interactions. First we discuss an ab initio auxiliary field quantum Monte Carlo technique for…

Quantum Gases · Physics 2012-03-21 Aurel Bulgac , Michael McNeil Forbes , Piotr Magierski

Neural networks are emerging as a powerful tool for determining the quantum states of interacting many-body fermionic systems. The standard approach trains a neural-network ansatz by minimizing the mean local energy estimated from Monte…

Superconductivity · Physics 2026-04-02 Dezhe Z. Jin

Single-component ultracold atomic Fermi gases are usually described using noninteracting many-fermion models. However, recent experiments reached a regime where $p$-wave interactions among identical fermionic atoms are important. In this…

Quantum Gases · Physics 2023-05-09 Gianluca Bertaina , Marco G. Tarallo , Sebastiano Pilati

Diffusion Monte Carlo (DMC) is an exact technique to project out the ground state (GS) of a Hamiltonian. Since the GS is always bosonic, in fermionic systems the projection needs to be carried out while imposing anti-symmetric constraints,…

Computational Physics · Physics 2025-01-08 Kousuke Nakano , Sandro Sorella , Dario Alfè , Andrea Zen

We develop a quantum Monte Carlo method to estimate the ground-state energy of a fermionic many-particle system in the configuration-interaction shell model approach. The fermionic sign problem is circumvented by using a guiding wave…

Nuclear Theory · Physics 2015-06-15 Abhishek Mukherjee , Y. Alhassid

We propose a general framework for finding the ground state of many-body fermionic systems by using feed-forward neural networks. The anticommutation relation for fermions is usually implemented to a variational wave function by the Slater…

Strongly Correlated Electrons · Physics 2021-12-21 Koji Inui , Yasuyuki Kato , Yukitoshi Motome

Variational quantum Monte Carlo (QMC) is an ab-initio method for solving the electronic Schr\"odinger equation that is exact in principle, but limited by the flexibility of the available ansatzes in practice. The recently introduced deep…

Computational Physics · Physics 2021-03-26 Zeno Schätzle , Jan Hermann , Frank Noé

Finding reliable approximations to the quantum many-body problem is one of the central challenges of modern physics. Elemental to this endeavor is the development of advanced numerical techniques pushing the limits of what is tractable. One…

Quantum Physics · Physics 2025-08-13 Björn J. Wurst , Dante M. Kennes , Jonas B. Profe

Machine-learning-based variational Monte Carlo simulations are a promising approach for targeting quantum many-body ground states, especially in two dimensions and in cases where the ground state is known to have a non-trivial sign…

Strongly Correlated Electrons · Physics 2025-10-14 M. Schuyler Moss , Roeland Wiersema , Mohamed Hibat-Allah , Juan Carrasquilla , Roger G. Melko

An efficient and expressive wavefunction ansatz is key to scalable solutions for complex many-body electronic structures. While Slater determinants are predominantly used for constructing antisymmetric electronic wavefunction ans\"{a}tze,…

Machine Learning · Computer Science 2024-11-12 Luca Thiede , Chong Sun , Alán Aspuru-Guzik

Tensor network states and parton wave functions are two pivotal methods for studying quantum many-body systems. This work connects these two subjects as we demonstrate that a variety of parton wave functions, such as projected Fermi sea and…

Strongly Correlated Electrons · Physics 2020-06-22 Ying-Hai Wu , Lei Wang , Hong-Hao Tu

The strongly correlated fermions play a vital role in modern physics. For a given fermionic Hamiltonian system, the most widely used approach to explore the underlying physics is to study the wave function that incorporates Fermi-Dirac…

Strongly Correlated Electrons · Physics 2026-04-08 Jian-Gang Kong , Zhi Yuan Xie

In this work we propose an artificial neural network functional to the ground-state energy of fermionic interacting particles in homogeneous chains described by the Hubbard model. Our neural network functional was proven to has an excellent…

Computational Physics · Physics 2019-02-18 C. A. Custodio , E. R. Filletti , V. V. França

This thesis is concerned with ground state properties of two-dimensional fermionic superfluids, in which fluctuation effects like the renormalization of the order parameter or infrared singularities are important. In the superfluid state,…

Strongly Correlated Electrons · Physics 2014-07-30 Andreas Eberlein

The rapid development of deep learning techniques has driven the emergence of a neural network-based variational Monte Carlo method (referred to as FermiNet), which has manifested high accuracy and strong predictive power in the electronic…

Computational Physics · Physics 2024-06-03 Mengsa Wang , Yuzhi Zhou , Han Wang

In machine learning for fluid mechanics, fully-connected neural network (FNN) only uses the local features for modelling, while the convolutional neural network (CNN) cannot be applied to data on structured/unstructured mesh. In order to…

Fluid Dynamics · Physics 2021-01-14 Mengfei Xu , Shufang Song , Xuxiang Sun , Weiwei Zhang

A major challenge in modern physics is to accurately describe strongly interacting quantum many-body systems. One-dimensional systems provide fundamental insights since they are often amenable to exact methods. However, no exact solution is…

Quantum Gases · Physics 2015-07-28 Jesper Levinsen , Pietro Massignan , Georg M. Bruun , Meera M. Parish

Developing accurate numerical methods for strongly interacting fermions is crucial for improving our understanding of various quantum many-body phenomena, especially unconventional superconductivity. Recently, neural quantum states have…

Strongly Correlated Electrons · Physics 2025-07-16 Ao Chen , Zhou-Quan Wan , Anirvan Sengupta , Antoine Georges , Christopher Roth