Related papers: The QISG suite: high-performance codes for studyin…
These lecture notes introduce quantum spin systems and several computational methods for studying their ground-state and finite-temperature properties. Symmetry-breaking and critical phenomena are first discussed in the simpler setting of…
Efficient sampling of two-dimensional statistical physics systems remains a central challenge in computational statistical physics. Traditional Markov chain Monte Carlo (MCMC) methods, including cluster algorithms, provide only partial…
We develop an algorithm suitable for parallel molecular dynamics simulations in $d$ spatial dimensions and describe its implementation in C++. All routines work in arbitrary $d$; the maximum simulated $d$ is limited only by available…
This paper introduces the Sheffield Magnetohydrodynamics Algorithm Using GPUs (SMAUG+), an advanced numerical code for solving magnetohydrodynamic (MHD) problems, using multi-GPU systems. Multi-GPU systems facilitate the development of…
We benchmark the performances of Qrack, an open-source software library for the high-performance classical simulation of (gate-model) quantum computers. Qrack simulates, in the Schr\"odinger picture, the exact quantum state of $n$ qubits…
We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn-Sham density functional theory. In particular, we develop a batch variant of the…
We present MGPU, a C++ programming library targeted at single-node multi-GPU systems. Such systems combine disproportionate floating point performance with high data locality and are thus well suited to implement real-time algorithms. We…
We introduce an exact algorithm for the computation of spin correlation functions for the two dimensional +/-J Ising spin glass in the ground state. Unlike with the transfer matrix method, there is no particular restriction on the shape of…
This paper presents an efficient parallel approximation scheme for a new class of min-max problems. The algorithm is derived from the matrix multiplicative weights update method and can be used to find near-optimal strategies for…
BATSRUS, our state-of-the-art extended magnetohydrodynamic code, is the most used and one of the most resource-consuming models in the Space Weather Modeling Framework. It has always been our objective to improve its efficiency and speed…
The state vector-based simulation offers a convenient approach to developing and validating quantum algorithms with noise-free results. However, limited by the absence of cache-aware implementations and unpolished circuit optimizations, the…
This report presents a comprehensive analysis of the performance of GPU accelerated meshfree CFD solvers for two-dimensional compressible flows in Fortran, C++, Python, and Julia. The programming model CUDA is used to develop the GPU codes.…
Ising computing provides a new computing paradigm for many hard combinatorial optimization problems. Ising computing essentially tries to solve the quadratic unconstrained binary optimization problem, which is also described by the Ising…
Quantum circuit simulation is crucial for the development of quantum algorithms, particularly given the high cost and noise limitations of physical quantum hardware. While full-state quantum circuit simulation is commonly employed for…
Product formulas for Trotter Suzuki simulation remain a practical route to Hamiltonian evolution on noisy intermediate scale quantum (NISQ) hardware, yet their accuracy hinges on three coupled choices: term grouping, product formula order,…
Over the past decade there has been a growing interest in the development of parallel hardware systems for simulating large-scale networks of spiking neurons. Compared to other highly-parallel systems, GPU-accelerated solutions have the…
Qubits are the basic building blocks of a quantum processor which require electromagnetic pulses in giga hertz frequency range and latency in nanoseconds for control and readout. In this paper, we address three main challenges associated…
The study of real-time evolution of lattice quantum field theories using classical computers is known to scale exponentially with the number of lattice sites. Due to a fundamentally different computational strategy, quantum computers hold…
The supercomputing platforms available for high performance computing based research evolve at a great rate. However, this rapid development of novel technologies requires constant adaptations and optimizations of the existing codes for…
Noisy Intermediate-Scale Quantum (NISQ) devices fail to produce outputs with sufficient fidelity for deep circuits with many gates today. Such devices suffer from read-out, multi-qubit gate and crosstalk noise combined with short…