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Quantum chemical calculations of the ground-state properties of positron-molecule complexes are challenging. The main difficulty lies in employing an appropriate basis set for representing the coalescence between electrons and a positron.…

Computational Physics · Physics 2024-02-08 G. Cassella , W. M. C. Foulkes , D. Pfau , J. S. Spencer

Deep learning techniques have opened a new venue for electronic structure theory in recent years. In contrast to traditional methods, deep neural networks provide much more expressive and flexible wave function ansatz, resulting in better…

Chemical Physics · Physics 2021-09-08 Xiang Li , Cunwei Fan , Weiluo Ren , Ji Chen

Recently developed neural network-based \emph{ab-initio} solutions (Pfau et. al arxiv:1909.02487v2) for finding ground states of fermionic systems can generate state-of-the-art results on a broad class of systems. In this work, we improve…

Chemical Physics · Physics 2021-03-26 Max Wilson , Nicholas Gao , Filip Wudarski , Eleanor Rieffel , Norm M. Tubman

Understanding superfluidity remains a major goal of condensed matter physics. Here we tackle this challenge utilizing the recently developed Fermionic neural network (FermiNet) wave function Ansatz [D. Pfau et al., Phys. Rev. Res. 2, 033429…

We compute the ground-state properties of fully polarized, trapped, one-dimensional fermionic systems interacting through a gaussian potential. We use an antisymmetric artificial neural network, or neural quantum state, as an ansatz for the…

Nuclear Theory · Physics 2024-02-09 J. W. T. Keeble , M. Drissi , A. Rojo-Francàs , B. Juliá-Díaz , A. Rios

Machine learning techniques such as artificial neural networks are currently revolutionizing many technological areas and have also proven successful in quantum physics applications. Here we employ an artificial neural network and deep…

Monte Carlo methods have led to profound insights into the strong-coupling behaviour of lattice gauge theories and produced remarkable results such as first-principles computations of hadron masses. Despite tremendous progress over the last…

High Energy Physics - Lattice · Physics 2025-07-15 Anuj Apte , Anthony Ashmore , Clay Cordova , Tzu-Chen Huang

Ultra-cold Fermi gases display diverse quantum mechanical properties, including the transition from a fermionic superfluid BCS state to a bosonic superfluid BEC state, which can be probed experimentally with high precision. However, the…

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

In this work, we propose a technique for the use of fermionic neural networks (FermiNets) with the Slater exponential Ansatz for electron-nuclear and electron-electron distances, which provides faster convergence of target ground-state…

Quantum Physics · Physics 2023-08-15 Denis Bokhan , Aleksey S. Boev , Aleksey K. Fedorov , Dmitrii N. Trubnikov

We design a neural network Ansatz for variationally finding the ground-state wave function of the Homogeneous Electron Gas, a fundamental model in the physics of extended systems of interacting fermions. We study the spin-polarised and…

We discuss differences and similarities between variational Monte Carlo approaches that use conventional and artificial neural network parameterizations of the ground-state wave function for systems of fermions. We focus on a relatively…

Mesoscale and Nanoscale Physics · Physics 2025-01-13 Even M. Nordhagen , Jane M. Kim , Bryce Fore , Alessandro Lovato , Morten Hjorth-Jensen

We show that neural quantum states based on very deep (4--16-layered) neural networks can outperform state-of-the-art variational approaches on highly frustrated quantum magnets, including quantum-spin-liquid candidates. We focus on group…

Strongly Correlated Electrons · Physics 2023-09-25 Christopher Roth , Attila Szabó , Allan MacDonald

Given access to accurate solutions of the many-electron Schr\"odinger equation, nearly all chemistry could be derived from first principles. Exact wavefunctions of interesting chemical systems are out of reach because they are NP-hard to…

Chemical Physics · Physics 2021-03-26 David Pfau , James S. Spencer , Alexander G. de G. Matthews , W. M. C. Foulkes

One-dimensional (1D) systems and models provide a versatile platform for emergent phenomena induced by strong electron correlation. In this work, we extend the newly developed real space neural network quantum Monte Carlo methods to study…

Strongly Correlated Electrons · Physics 2024-12-02 Haoxiang Chen , Weiluo Ren , Xiang Li , Ji Chen

Although classifying topological quantum phases have attracted great interests, the absence of local order parameter generically makes it challenging to detect a topological phase transition from experimental data. Recent advances in…

Quantum Gases · Physics 2022-10-12 Entong Zhao , Ting Hin Mak , Chengdong He , Zejian Ren , Ka Kwan Pak , Yu-Jun Liu , Gyu-Boong Jo

We introduce an attention-based fermionic neural network (FNN) to variationally solve the problem of two-dimensional Coulomb electron gas in magnetic fields, a canonical platform for fractional quantum Hall (FQH) liquids, Wigner crystals…

Strongly Correlated Electrons · Physics 2025-05-23 Yi Teng , David D. Dai , Liang Fu

Artificial neural networks have been recently introduced as a general ansatz to compactly represent many- body wave functions. In conjunction with Variational Monte Carlo, this ansatz has been applied to find Hamil- tonian ground states and…

Strongly Correlated Electrons · Physics 2018-10-24 Kenny Choo , Giuseppe Carleo , Nicolas Regnault , Titus Neupert

Neural-network variational Monte Carlo (NNVMC) has emerged as a powerful tool for solving quantum many-body problems, yet systematic pathways for improving its accuracy remain largely heuristic. Here, we introduce a physically motivated…

Strongly Correlated Electrons · Physics 2026-04-20 Zhixuan Liu , Dongheng Qian , Jing Wang

The ability of a feed-forward neural network to learn and classify different states of polymer configurations is systematically explored. Performing numerical experiments, we find that a simple network model can, after adequate training,…

Soft Condensed Matter · Physics 2017-04-14 Qianshi Wei , Roger G. Melko , Jeff Z. Y. Chen
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