相关论文: Neural network variational Monte Carlo for positro…

Variational wave functions have enabled exceptional scientific breakthroughs related to the understanding of novel phases of matter. Examples include the Bardeen-Cooper-Schrieffer theory of superconductivity, the description of the…

Non-Hermitian quantum many-body systems exhibit a rich array of physical phenomena, including non-Hermitian skin effects and exceptional points, that remain largely inaccessible to existing numerical techniques. In this work, we investigate…

Solving the intricate quantum behavior of interacting particles is key to unlocking the mysteries of condensed matter, but capturing their complex correlations across different scales remains a monumental challenge. We introduce a neural…

We present a variational Monte Carlo algorithm for estimating the lowest excited states of a quantum system which is a natural generalization of the estimation of ground states. The method has no free parameters and requires no explicit…

Collective protein modes are expected to be important for facilitating energy transfer in the Fenna-Matthews-Olson (FMO) complex, however to date little work has focussed on the microscopic details of these vibrations. The nonlinear network…

Recent years have witnessed a surge of experimental and theoretical interest in controlling the properties of matter, such as its chemical reactivity, by confining it in optical cavities, where the enhancement of the light-matter coupling…

We present a variational neural network approach for solving quantum field theories in the field basis, focusing on the free Klein-Gordon model formulated in momentum space. While recent studies have explored neural-network-based…

Neural networks are being used to make new types of empirical chemical models as inexpensive as force fields, but with accuracy close to the ab-initio methods used to build them. Besides modeling potential energy surfaces, neural-nets can…

Treating the fermionic ground state problem as a constrained stochastic optimization problem, a formalism for fermionic quantum Monte Carlo is developed that makes no reference to a trial wavefunction. Exchange symmetry is enforced by…

Strongly interacting quantum systems described by non-stoquastic Hamiltonians exhibit rich low-temperature physics. Yet, their study poses a formidable challenge, even for state-of-the-art numerical techniques. Here, we investigate…

Quantum neural networks promise to extend the power of machine learning into the quantum domain, with potential applications ranging from automatic recognition of quantum states to the control of quantum devices. However, their physical…

We describe a class of neuralized fermionic tensor network states (NN-fTNS) that introduce non-linearity into fermionic tensor networks through configuration-dependent neural network transformations of the local tensors. The construction…

Convolutional neural network (CNN) has achieved impressive success in computer vision during the past few decades. The image convolution operation helps CNNs to get good performance on image-related tasks. However, the image convolution has…

Finding accurate solutions to the electronic Schr\"odinger equation plays an important role in discovering important molecular and material energies and characteristics. Consequently, solving systems with large numbers of electrons has…

Molecular simulations generally require fermionic encoding in which fermion statistics are encoded into the qubit representation of the wave function. Recent calculations suggest that fermionic encoding of the wave function can be bypassed,…

We introduce a simple determinant diagrammatic Monte Carlo algorithm to compute the ground-state properties of a particle interacting with a Fermi sea through a zero-range interaction. The fermionic sign does not cause any fundamental…

In the study of electronic structure, the wavefunction view dominates the current research landscape and forms the theoretical foundation of modern quantum mechanics. In contrast, Valence Bond (VB) theory represents chemical bonds as shared…

Inspired by the universal approximation theorem and widespread adoption of artificial neural network techniques in a diversity of fields, we propose feed-forward neural networks as a general purpose trial wave function for quantum Monte…

We propose a new quantum Monte Carlo algorithm to compute fermion ground-state properties. The ground state is projected from an initial wavefunction by a branching random walk in an over-complete basis space of Slater determinants. By…

Compact and accurate wave functions can be constructed by quantum Monte Carlo methods. Typically, these wave functions consist of a sum of a small number of Slater determinants multiplied by a Jastrow factor. In this paper we study the…