Related papers: Neural network variational Monte Carlo for positro…
Neutron/gamma discrimination has been intensively researched in recent years, due to its unique scientific value and widespread applications. With the advancement of detection materials and algorithms, nowadays we can achieve fairly good…
We refine the OrbNet model to accurately predict energy, forces, and other response properties for molecules using a graph neural-network architecture based on features from low-cost approximated quantum operators in the symmetry-adapted…
In this work we present a detailed study of the Fermion Monte Carlo algorithm (FMC), a recently proposed stochastic method for calculating fermionic ground-state energies [M.H. Kalos and F. Pederiva, Phys. Rev. Lett. vol. 85, 3547 (2000)].…
We investigate here ground state properties of atoms, in which substitute fermions -- electrons by bosons, e.g. $\pi $ - meson. We perform some calculations in the frame of modified Hartree-Fock (HF) equation. The modification takes into…
Applications of neural networks to condensed matter physics are becoming popular and beginning to be well accepted. Obtaining and representing the ground and excited state wave functions are examples of such applications. Another…
The inherent properties of specific physical systems can be used as metaphors for investigation of the behavior of complex networks. This insight has already been put into practice in previous work, e.g., studying the network evolution in…
Key aspects of the quantum oscillations and magnetoresistance in Weyl semimetals $AM$Te$_4$ ($A$=Nb,Ta, $M$=Rh, Ir) persist as open questions, obscuring the link between their topological electronic structure and practical implementations.…
A quantum molecular model for fermions is investigated which works with antisymmetrized many-body states composed of localized single-particle wave packets. The application to the description of atomic nuclei and collisions between them…
Physicists dating back to Feynman have lamented the difficulties of applying the variational principle to quantum field theories. In non-relativistic quantum field theories, the challenge is to parameterize and optimize over the infinitely…
The Boltzmann equation, a fundamental model in kinetic theory, describes the evolution of particle distribution functions through a nonlinear, high-dimensional collision operator. However, its numerical solution remains computationally…
We introduce a machine learning method in which energy solutions from the Schrodinger equation are predicted using symmetry adapted atomic orbitals features and a graph neural-network architecture. \textsc{OrbNet} is shown to outperform…
We introduce fermionic machine learning (FermiML), a machine learning framework based on fermionic quantum computation. FermiML models are expressed in terms of parameterized matchgate circuits, a restricted class of quantum circuits that…
Neural network force field (NNFF) is a method for performing regression on atomic structure-force relationships, bypassing expensive quantum mechanics calculation which prevents the execution of long ab-initio quality molecular dynamics…
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…
We introduce an efficient approach to implement neural network quantum states (NNQS) as trial wavefunctions in auxiliary-field quantum Monte Carlo (AFQMC). NNQS are a recently developed class of variational ans\"atze capable of flexibly…
In this article, we present a method for computing accurate and scalable nuclear forces within the phaseless auxiliary-field quantum Monte Carlo (AFQMC) framework. Our approach leverages automatic differentiation of the energy functional to…
We propose an efficient numerical method, which combines the advantages of recently developed tensor-network based methods and standard trial wave functions, to study the ground state properties of quantum many-body systems. In this…
Ultracold neutral bosons in a rapidly rotating atomic trap have been predicted to exhibit fractional quantum Hall-like states. We describe how the composite fermion theory, used in the description of the fractional quantum Hall effect for…
Neural network quantum states emerge as a promising tool for solving quantum many-body problems. However, its successes and limitations are still not well-understood in particular for Fermions with complex sign structures. Based on our…
Neural networks have been proposed as efficient numerical wavefunction ansatze which can be used to variationally search a wide range of functional forms for ground state solutions. These neural network methods are also advantageous in that…