Related papers: Rimu.jl: Random integrators for many-body quantum …
Combustion kinetic modeling is an integral part of combustion simulation, and extensive studies have been devoted to developing both high fidelity and computationally affordable models. Despite these efforts, modeling combustion kinetics is…
This paper introduces CMOS invertible-logic (CIL) circuits based on many-body Hamiltonians. CIL can realize probabilistic forward and backward operations of a function by annealing a corresponding Hamiltonian using stochastic computing. We…
Purpose: To develop an open-source, high-performance, easy-to-use, extensible, cross-platform, and general MRI simulation framework (Koma). Methods: Koma was developed using the Julia programming language. Like other MRI simulators, it…
We present a systematic downfolding many-body approach for extended systems. Many-body calculations operate on a simpler Hamiltonian which retains material-specific properties. The Hamiltonian is systematically improvable and allows one to…
We present PEPSKit.jl, a Julia package for simulating two-dimensional quantum many-body systems with infinite projected entangled-pair states (iPEPS). PEPSKit.jl builds on the TensorKit.jl package for tensor computations and provides…
We present the first quantum-hardware implementation of a Hamiltonian simulation algorithm that produces signed vector-field solutions to the time-domain Maxwells equations using a Schrodingerisation-based approach. The electromagnetic…
We present an efficient numerical implementation of the quasi-classical doorway-window approximation, specifically designed for on-the-fly simulations of time-resolved nonlinear spectroscopic signals in the Julia package WaveMixings.jl. The…
We present lrux, a JAX-based software package for fast low-rank updates of determinants and Pfaffians, targeting the dominant computational bottleneck in various quantum Monte Carlo (QMC) algorithms. The package implements efficient…
Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…
Approximating partial differential equations for extensive industrial and scientific applications requires leveraging the power of modern high-performance computing. In large-scale parallel computations, the geometrical discretisation…
We present FreeBird, an extensible Julia-based platform for computational studies of phase equilibria at generic interfaces. The package supports a range of system configurations, from atomistic solid surfaces to coarse-grained…
Similarity transformation of the Hubbard Hamiltonian using a Gutzwiller correlator leads to a non-Hermitian effective Hamiltonian, which can be expressed exactly in momentum-space representation, and contains three-body interactions. We…
In quantum information theory, there is an explicit mapping between general unitary dynamics and Hermitian ground state eigenvalue problems known as the Feynman-Kitaev Clock. A prominent family of methods for the study of quantum ground…
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum…
Sequential sampling models (SSMs) are a widely used framework describing decision-making as a stochastic, dynamic process of evidence accumulation. SSMs popularity across cognitive science has driven the development of various software…
CDFCI is a shared-memory parallel numerical program for computing low-lying eigenpairs of large-scale, non-relativistic fermionic Hamiltonians. The software is designed to handle a broad class of many-body quantum models, including both ab…
We present the Julia package SagbiHomotopy.jl for solving systems of polynomial equations using numerical homotopy continuation. The package introduces an optimal choice of a start system based on SAGBI homotopies. For square horizontally…
MultiPrecisionArrays.jl is a Julia package. This package provides data structures and solvers for several variants of iterative refinement. It will become much more useful when half precision (aka Float16) is fully supported in LAPACK/BLAS.…
Building on the success of Quantum Monte Carlo techniques such as diffusion Monte Carlo, alternative stochastic approaches to solve electronic structure problems have emerged over the last decade. The full configuration interaction quantum…
This paper covers two major subjects: First, the presentation of a new open-source library called FMI.jl for integrating FMI into the Julia programming environment by providing the possibility to load, parameterize and simulate FMUs.…