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HOOMD-blue is a particle simulation engine designed for nano- and colloidal-scale molecular dynamics and hard particle Monte Carlo simulations. It has been actively developed since March 2007 and available open source since August 2008.…

Monte Carlo simulations are used to study lattice gases of particles with extended hard cores on a two dimensional square lattice. Exclusions of one and up to five nearest neighbors (NN) are considered. These can be mapped onto hard squares…

It is widely anticipated that a large-scale quantum computer will offer an evermore accurate simulation of nature, opening the floodgates for exciting scientific breakthroughs and technological innovations. Here, we show a complete,…

We review the current methods and results of lattice simulations of quantum chromodynamics at nonzero temperatures and densities. The review is intended to introduce the subject to interested nonspecialists and beginners. It includes a…

We present a study of the parallel tempering (replica exchange) Monte Carlo method, with special focus on the feedback-optimized parallel tempering algorithm, used for generating an optimal set of simulation temperatures. This method is…

Computational methods both open the frontiers of economic analysis and serve as a bottleneck in what can be achieved. We are the first to study whether Quantum Monte Carlo (QMC) algorithm can improve the runtime of economic applications and…

It has become increasingly important to include one or more individual flavours of dynamical fermion in lattice QCD simulations. This is due in part to the advent of QCD+QED calculations, where isospin symmetry breaking means that the up,…

Hybrid classical-quantum algorithms aim at variationally solving optimisation problems, using a feedback loop between a classical computer and a quantum co-processor, while benefitting from quantum resources. Here we present experiments…

We developed PyQUDA, a Python wrapper for QUDA written in Cython, designed to facilitate lattice QCD calculations using the Python programming language. PyQUDA leverages the optimized linear algebra capabilities of NumPy/CuPy/PyTorch, along…

The architecture of a new class of computers, optimized for lattice QCD calculations, is described. An individual node is based on a single integrated circuit containing a PowerPC 32-bit integer processor with a 1 Gflops 64-bit IEEE…

Lattice Gas Automata (LGA) is a classical method for simulating physical phenomena, including Computational Fluid Dynamics (CFD). Quantum LGA (QLGA) is the family of methods that implement LGA schemes on quantum computers. In recent years,…

QCDOC is a massively parallel supercomputer whose processing nodes are based on an application-specific integrated circuit (ASIC). This ASIC was custom-designed so that crucial lattice QCD kernels achieve an overall sustained performance of…

Extensions to the C++ implementation of the QCD Data Parallel Interface are provided enabling acceleration of expression evaluation on NVIDIA GPUs. Single expressions are off-loaded to the device memory and execution domain leveraging the…

We review recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency and reproducibility. The auxiliary field QMC (AFQMC) implementation…

One of the ultimate missions of lattice QCD is to simulate atomic nuclei from the first principle of the strong interaction. This is an extremely hard task for the current computational technology, but might be reachable in coming quantum…

Monte Carlo simulations are an important tool in statistical physics, complex systems science, and many other fields. An increasing number of these simulations is run on parallel systems ranging from multicore desktop computers to…

Currently there is considerable interest in making use of many-core processor architectures, such as Nvidia and AMD graphics processing units (GPUs) for scientific computing. In this work we explore the use of the Open Computing Language…

We report recent progress in the study of a particular class of spin 1/2 XXZ model on two-dimensional lattices with frustrated diagonal and unfrustrated off-diagonal interactions. Quantum Monte Carlo simulations can be constructed without a…

Implementation of basic local Monte-Carlo algorithms on ATI Graphics Processing Units (GPU) is investigated. The Ising model and pure SU(2) gluodynamics simulations are realized with the Compute Abstraction Layer (CAL) of ATI Stream…

We discuss the current state of the art of Quantum Random Number Generators (QRNG) and their possible applications in the search for quantum advantages. To this aim, we first discuss a possible way of benchmarking QRNG by applying them to…