Related papers: A Size-Consistent Wave-function Ansatz Built from …
The paper studies the structure of high-order adiabatic approximation of a wave function for slowly changing Hamiltonians. A constructive technique for explicit separation of fast and slow components of the wave function is developed. The…
Variational quantum algorithms have been a promising candidate to utilize near-term quantum devices to solve real-world problems. The powerfulness of variational quantum algorithms is ultimately determined by the expressiveness of the…
Predicting the properties of strongly correlated materials is a significant challenge in condensed matter theory. The widely used dynamical mean-field theory faces difficulty in solving quantum impurity models numerically. Hybrid…
Many standard structural quantities, such as order parameters and correlation functions, exist for common condensed matter systems, such as spherical and rod-like particles. However, these structural quantities are often insufficient for…
Deterministic neural operators perform well on many PDEs but can struggle with the approximation of high-frequency wave phenomena, where strong input-to-output sensitivity makes operator learning challenging, and spectral bias blurs…
In this work, we introduce a novel local pairwise descriptor and then develop a simple, effective iterative method to solve the resulting quadratic assignment through sparsity control for shape correspondence between two approximate…
We introduce a general scheme for sequential one-way quantum computation where static systems with long-living quantum coherence (memories) interact with moving systems that may possess very short coherence times. Both the generation of the…
From fundamental sciences to economics and industry, discrete optimization problems are ubiquitous. Yet, their complexity often renders exact solutions intractable, necessitating the use of approximate methods. Heuristics inspired by…
We extend the nonconforming Trefftz virtual element method introduced in arXiv:1805.05634 to the case of the fluid-fluid interface problem, that is, a Helmholtz problem with piecewise constant wave number. With respect to the original…
We conducted quantum simulations of strongly correlated systems using the quantum flow (QFlow) approach, which enables sampling large sub-spaces of the Hilbert space through coupled eigenvalue problems in reduced dimensionality active…
Finding shape correspondences can be formulated as an NP-hard quadratic assignment problem (QAP) that becomes infeasible for shapes with high sampling density. A promising research direction is to tackle such quadratic optimization problems…
The accurate computational study of wavepacket nuclear dynamics is considered to be a classically intractable problem, particularly with increasing dimensions. Here we present two algorithms that, in conjunction with other methods developed…
We describe a multi-scale resolution approach to analyzing problems in Quantum Mechanics using Daubechies wavelet basis. The expansion of the wavefunction of the quantum system in this basis allows a natural interpretation of each basis…
We present a density functional scheme for calculating the pair density (PD) by means of the correlated wave function. This scheme is free from both of problems related to PD functional theory, i.e., (a) the need to constrain the…
We propose a scheme for data-driven parameterization of unresolved dimensions of dynamical systems based on the mathematical framework of quantum mechanics and Koopman operator theory. Given a system in which some components of the state…
Recently, sparsity-based algorithms are proposed for super-resolution spectrum estimation. However, to achieve adequately high resolution in real-world signal analysis, the dictionary atoms have to be close to each other in frequency,…
Neural quantum states (NQS) provide flexible and compact wavefunction parameterizations for numerical studies of quantum many-body physics. In particular, NQS aim to circumvent the exponential scaling of the Hilbert space by compressing…
The weighted set multi-cover problem is a fundamental generalization of set cover that arises in data-driven applications where one must select a small, low-cost subset from a large collection of candidates under coverage constraints. In…
The calculation of realistic N-body wave functions for identical fermions is still an open problem in physics, chemistry, and materials science, even for N as small as two. A recently discovered fundamental algebraic structure of many-body…
This work investigates Kolmogorov-Arnold network-based wavefunction ansatz as viable representations for quantum Monte Carlo simulations. Through systematic analysis of one-dimensional model systems, we evaluate their computational…