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We show that the method of splitting the operator ${\rm e}^{\epsilon(T+V)}$ to fourth order with purely positive coefficients produces excellent algorithms for solving the time-dependent Schr\"odinger equation. These algorithms require…

Computational Physics · Physics 2015-06-26 Siu A. Chin , C. -R. Chen

Linear-time algorithms that are traditionally used to shuffle data on CPUs, such as the method of Fisher-Yates, are not well suited to implementation on GPUs due to inherent sequential dependencies, and existing parallel shuffling…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-02-04 Rory Mitchell , Daniel Stokes , Eibe Frank , Geoffrey Holmes

Simulating quantum many-body dynamics is important both for fundamental understanding of physics and practical applications for quantum information processing. Therefore, classical simulation methods have been developed so far.…

Quantum Physics · Physics 2023-04-26 Yoshiaki Kawase , Keisuke Fujii

Hash tables are used in a plethora of applications, including database operations, DNA sequencing, string searching, and many more. As such, there are many parallelized hash tables targeting multicore, distributed, and accelerator-based…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-04-05 Alok Tripathy , Oded Green

In the field of quantum computing, combinatorial optimization problems are typically addressed using QUBO (Quadratic Unconstrained Binary Optimization) solvers. However, these solvers are often insufficient for tackling higher-order…

Quantum Physics · Physics 2024-07-24 Yuichiro Minato

Sorting is one of the most basic algorithms, and developing highly parallel sorting programs is becoming increasingly important in high-performance computing because the number of CPU cores per node in modern supercomputers tends to…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-09-08 Tomoyuki Tokuue , Tomoaki Ishiyama

We propose an asynchronous iterative scheme that allows a set of interconnected nodes to distributively reach an agreement within a pre-specified bound in a finite number of steps. While this scheme could be adopted in a wide variety of…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-01-13 Andreas Grammenos , Themistoklis Charalambous , Evangelia Kalyvianaki

Within the framework of imaginary-time evolution for matrix product states, we introduce a cluster version of the infinite time-evolving block decimation algorithm for simulating quantum many-body systems, addressing the computational…

Strongly Correlated Electrons · Physics 2025-09-01 Tao Yang , Rui Wang , Z. Y. Xie , Baigeng Wang

The Trotter-Suzuki decomposition is a promising avenue for digital quantum simulation (DQS), approximating continuous-time dynamics by discrete Trotter steps of duration $\tau$. Recent work suggested that DQS is typically characterized by a…

Quantum Physics · Physics 2023-06-30 Eric Vernier , Bruno Bertini , Giuliano Giudici , Lorenzo Piroli

With the recent proliferation of large-scale learning problems,there have been a lot of interest on distributed machine learning algorithms, particularly those that are based on stochastic gradient descent (SGD) and its variants. However,…

Machine Learning · Computer Science 2015-12-07 Ruiliang Zhang , Shuai Zheng , James T. Kwok

Motivated by the increasing availability of low- and mixed-precision arithmetic on modern hardware, we develop mixed-precision variants of Lloyd's algorithm for k-means clustering. The main ingredient is a family of mixed-precision kernels…

Numerical Analysis · Mathematics 2026-05-26 Erin Carson , Xinye Chen , Xiaobo Liu

A detailed exposition of highly efficient and accurate method for the propagation of the time-dependent Schr\"odinger equation is presented. The method is readily generalized to solve an arbitrary set of ODE's. The propagation is based on a…

Quantum Physics · Physics 2017-05-12 Ido Schaefer , Hillel Tal-Ezer , Ronnie Kosloff

We present a GPU-accelerated backend for QOCO, a C-based solver for quadratic objective second-order cone programs (SOCPs) based on a primal-dual interior point method. Our backend uses NVIDIA's cuDSS library to perform a direct sparse LDL…

Optimization and Control · Mathematics 2026-04-01 Govind M. Chari , Behçet Açıkmeşe

A quantum processing unit (QPU) must contain a large number of high quality qubits to produce accurate results for problems at useful scales. In contrast, most scientific and industry classical computation workloads happen in parallel on…

Emerging Technologies · Computer Science 2025-02-06 Wei Tang , Margaret Martonosi

This work discusses the performance of a modern numerical scheme for fluid dynamical problems on modern high-performance computing architectures. Our code implements a spatial nodal discontinuous Galerkin scheme that we test up to an order…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-08 Filipp Sporykhin , Holger Homann

The sliding square model is a widely used abstraction for studying self-reconfigurable robotic systems, where modules are square-shaped robots that move by sliding or rotating over one another. In this paper, we propose a novel distributed…

Computational Geometry · Computer Science 2025-09-15 Irina Kostitsyna , David Liedtke , Christian Scheideler

We present an ab initio approach to solve the time-dependent Schr\"odinger equation to treat electron and photon impact multiple ionization of atoms or molecules. It combines the already known time scaled coordinate method with a new high…

Designing efficient and scalable sparse linear algebra kernels on modern multi-GPU based HPC systems is a daunting task due to significant irregular memory references and workload imbalance across the GPUs. This is particularly the case for…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-12-15 Chenhao Xie , Jieyang Chen , Jesun S Firoz , Jiajia Li , Shuaiwen Leon Song , Kevin Barker , Mark Raugas , Ang Li

Suzuki-Trotter decomposition is a well-known technique used to calculate the partition function of quantum spin systems, in which the imaginary-time dependence of the partition function occurs inevitably. Since it is very difficult to…

Statistical Mechanics · Physics 2018-08-30 Manaka Okuyama , Masayuki Ohzeki

Modern computing platforms tend to deploy multiple GPUs (2, 4, or more) on a single node to boost system performance, with each GPU having a large capacity of global memory and streaming multiprocessors (SMs). GPUs are an expensive…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-07-20 Chao Chen , Chris Porter , Santosh Pande