Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

AIP conference proceedings

Improving Quantum Gate Simulation using a GPU

Eladio Gutiérrez, Sergio Romero, Marı́a A. Trenas, Emilio L. Zapata, Theodore E. Simos, George Psihoyios

Published Jan 1, 2008• 3 citations
Publisher

Abstract

Due to the increasing computing power of the graphics processing units (GPU), they are becoming more and more popular when solving general purpose algorithms. As the simulation of quantum computers results on a problem with exponential complexity, it is advisable to perform a parallel computation, such as the one provided by the SIMD multiprocessors present in recent GPUs. In this paper, we focus on an important quantum algorithm, the quantum Fourier transform (QTF), in order to evaluate different parallelization strategies on a novel GPU architecture. Our implementation makes use of the new CUDA software/hardware architecture developed recently by NVIDIA.

DOI
10.1063/1.3037076

Related papers

Simulation of quantum gates on a novel GPU architecture

Eladio Gutiérrez, Sergio Romero, Marı́a A. Trenas +1 more

Abstract: Quantum computers aim to achieve a huge reduction of the time required for solving problems with an exponential complexity, but their simulation in conventional computers results itself on a problem with a similar complexity. As this limits considerably the dimensions of the quantum computer we can simulate, multiprocessor architectures are an almost obliged tool when tackling with such simulations. In this paper we explore the application of the new graphical processor architectures in the simulation of the elementary operators that constitute the basic building blocks of quantum computers. Recently, these GPUs are being used as general purpose multiprocessors, as they demonstrate to possess a floating point computing power larger than classic CPUs. In particular our implementation makes use of the new CUDA software/hardware architecture developed recently by NVIDIA. Key–Words: Quantum computing simulation, Graphics Processing Unit (GPU), parallel processing 1

International Conference on Systems•Aug 24, 2007•9 citations

Exascale Quantum Mechanical Simulations: Navigating the Shifting Sands of Hardware and Software

Ravindra Shinde, Claudia Filippi, Anthony Scemama +1 more

The era of exascale computing presents both exciting opportunities and unique challenges for quantum mechanical simulations. While the transition from petaflops to exascale computing has been marked by a steady increase in computational power, the shift towards heterogeneous architectures, particularly the dominant role of graphical processing units (GPUs), demands a fundamental shift in software development strategies. This review examines the changing landscape of hardware and software for exascale computing, highlighting the limitations of traditional algorithms and software implementations in light of the increasing use of heterogeneous architectures in high-end systems. We discuss the challenges of adapting quantum chemistry software to these new architectures, including the fragmentation of the software stack, the need for more efficient algorithms (including reduced precision versions) tailored for GPUs, and the importance of developing standardized libraries and programming models.

•Sep 19, 2024•1 citation

Parallel quantum computer simulation on the GPU

Andrei Amariutei, Simona Caraiman

Simulation of quantum computers using classical computers is a hard problem with high memory and computational requirements. Parallelization can alleviate this problem, allowing the simulation of more qubits at the same time or the same number of qubits to be simulated in less time. A promising approach is to exploit the high performance computing capabilities provided by the latest graphical processing units. In this paper we present a parallel implementation of the QC-lib quantum computer simulator on the GPU using the CUDA programming model. The proposed scheme for partitioning the terms that describe the state of a quantum register takes advantage of the specific characteristics of the CUDA memory spaces and allows for an efficient parallelization of the general singe qubit operator. Experimental results indicate that very good speed-ups can be obtained in contrast with the sequential implementation.

•Nov 28, 2011•16 citations

Exascale Quantum Mechanical Simulations: Navigating the Shifting Sands of Hardware and Software

Ravindra Shinde, Claudia Filippi, Anthony Scemama +1 more

The era of exascale computing presents both exciting opportunities and unique challenges for quantum mechanical simulations. While the transition from petaflops to exascale computing has been marked by a steady increase in computational power, the shift towards heterogeneous architectures, particularly the dominant role of graphical processing units (GPUs), demands a fundamental shift in software development strategies. This review examines the changing landscape of hardware and software for exascale computing, highlighting the limitations of traditional algorithms and software implementations in light of the increasing use of heterogeneous architectures in high-end systems. We discuss the challenges of adapting quantum chemistry software to these new architectures, including the fragmentation of the software stack, the need for more efficient algorithms (including reduced precision versions) tailored for GPUs, and the importance of developing standardized libraries and programming models.

•Sep 18, 2024•1 citation

Quantum simulations with graphics processing units

Steven Gregory Smith

This document aims to describe the methodology of quantum lattice gas algorithm based quantum physics simulations with details on implementation using graphics processing units. A variety of examples illustrating the general application of these methods are included. These examples are used to highlight topics such as scaling, potentials, momentums, multiple particle and dimensions, and various Hamiltonians in quantum simulations. Although intended to fullfill the doctor of philosophy degree requirement, this document is well suited as an introduction to this approach to modeling physics. In recent times parallelization has significantly improved the available computational power. Graphics processing units (GPUs) are a shining example of this, with thousands of compute cores and continually improved general computational capabilities, these processors can outshine their central processing unit (CPU) counterparts by orders of magnitude. Presented here are a number of examples of efficient computational methods for simulating physics using GPUs. Our quantum simulation method involves the quantum lattice gas model of quantum computation [59, 68, 64], however much of the parallel technology implementation is applicable to other numerical approaches. The quantum lattice gas model of computation is based on a unitary stream-collide quantum algorithm applied repeatedly over time upon an ordered array of qubits [53, 56, 68, 61, 63, 67]. The stream-collide quantum algorithm represents local quantum evolution of the system of quantum particles whose motion is constrained to reside on a spacetime lattice. Each particle in the system undergoes a quantum walk, interacting locally with other particles in the system that may reside on the same point. We will first mathematically describe the basic idea of quantum lattice gas algorithms. Next we will discuss GPUs and the basic features needed for implementation. We will then describe several examples of quantum lattice gas algorithm approach to illustrate the various applications and implementation challenges. Of particular interest is a look at modeling time-dependent many-body quantum mechanics using quantum lattice gas methods. For practical purposes we focus on the case of two fermions governed by the nonrelativistic Schrödinger equation. Numerical comparisons to analytic prediction show the high accuracy of these methods. Quantum lattice gas methods are chosen as a unitary algorithm for time dependent quantum simulation as they are efficient, accurate, and avoid the Fermi sign problem. Our findings from two-particle simulations under various conditions include the physics of the one and two particle systems diverging in their respective time-dependent behavior with increasing entanglement. We also confirm the multiple particle extension of the Ehrenfest theorem. Using the examples discussed throughout this document, we will then describe our specific computational implementation utilizing the computational power of GPUs through Nvidia’s compute unified device architecture (CUDA) language. Here we will discuss the open source software our group is developing based on these methods, along with some implementation verification and debugging concepts. Education is another application peripherally connected to this work and our software. The applications of this type of modeling as a learning tool is not fully explored yet, but the opportunities are promising.

•Jan 1, 2020•0 citations

Accelerating Quantum Computer Simulation via Parallel Eigenvector Computation

Karl Stathakis

Quantum-dot cellular automata (QDCA) hold great potential to produce the next generation of computer hardware, but their development is hindered by computationally intensive simulations. Our research therefore focuses on rewriting one such simulation to run parallel calculations on a graphics processing unit (GPU). We have decreased execution time from 33 hours 11 minutes to 1 hour 39 minutes, but current progress has shown that further gains are possible. The calculation of eigenvectors holds particular promise for acceleration. Our research has two components: testing MATLAB’s algorithm for these calculations and creating a C-based algorithm to improve on MATLAB’s execution time. MATLAB requires 0.2352 +/- 0.0074 seconds to execute this function, while our function requires 0.0674 +/- 0.0143 seconds. Further, our function’s iterative and many-threaded nature makes it ideal for parallel implementation in the CUDA language, which is expected to further increase execution speed. At the time of this writing, implementation is ongoing. Our presentation shall focus on our functions’ efficiency increases over their MATLAB counterparts, and the application of GPUs’ immense computational power to QDCA device simulation.

•Jan 1, 2011•0 citations
Due to the increasing computing power of the graphics processing units (GPU), they are becoming more and more popular when solving general purpose algorithms. As the simulation of quantum computers results on a problem with exponential complexity, it is advisable to perform a parallel computation, such as the one provided by the SIMD multiprocessors present in recent GPUs. In this paper, we focus on an important quantum algorithm, the quantum Fourier transform (QTF), in order to evaluate different parallelization strategies on a novel GPU architecture. Our implementation makes use of the new CUDA software/hardware architecture developed recently by NVIDIA.
Abstract: Quantum computers aim to achieve a huge reduction of the time required for solving problems with an exponential complexity, but their simulation in conventional computers results itself on a problem with a similar complexity. As this limits considerably the dimensions of the quantum computer we can simulate, multiprocessor architectures are an almost obliged tool when tackling with such simulations. In this paper we explore the application of the new graphical processor architectures in the simulation of the elementary operators that constitute the basic building blocks of quantum computers. Recently, these GPUs are being used as general purpose multiprocessors, as they demonstrate to possess a floating point computing power larger than classic CPUs. In particular our implementation makes use of the new CUDA software/hardware architecture developed recently by NVIDIA. Key–Words: Quantum computing simulation, Graphics Processing Unit (GPU), parallel processing 1
The era of exascale computing presents both exciting opportunities and unique challenges for quantum mechanical simulations. While the transition from petaflops to exascale computing has been marked by a steady increase in computational power, the shift towards heterogeneous architectures, particularly the dominant role of graphical processing units (GPUs), demands a fundamental shift in software development strategies. This review examines the changing landscape of hardware and software for exascale computing, highlighting the limitations of traditional algorithms and software implementations in light of the increasing use of heterogeneous architectures in high-end systems. We discuss the challenges of adapting quantum chemistry software to these new architectures, including the fragmentation of the software stack, the need for more efficient algorithms (including reduced precision versions) tailored for GPUs, and the importance of developing standardized libraries and programming models.
Simulation of quantum computers using classical computers is a hard problem with high memory and computational requirements. Parallelization can alleviate this problem, allowing the simulation of more qubits at the same time or the same number of qubits to be simulated in less time. A promising approach is to exploit the high performance computing capabilities provided by the latest graphical processing units. In this paper we present a parallel implementation of the QC-lib quantum computer simulator on the GPU using the CUDA programming model. The proposed scheme for partitioning the terms that describe the state of a quantum register takes advantage of the specific characteristics of the CUDA memory spaces and allows for an efficient parallelization of the general singe qubit operator. Experimental results indicate that very good speed-ups can be obtained in contrast with the sequential implementation.
The era of exascale computing presents both exciting opportunities and unique challenges for quantum mechanical simulations. While the transition from petaflops to exascale computing has been marked by a steady increase in computational power, the shift towards heterogeneous architectures, particularly the dominant role of graphical processing units (GPUs), demands a fundamental shift in software development strategies. This review examines the changing landscape of hardware and software for exascale computing, highlighting the limitations of traditional algorithms and software implementations in light of the increasing use of heterogeneous architectures in high-end systems. We discuss the challenges of adapting quantum chemistry software to these new architectures, including the fragmentation of the software stack, the need for more efficient algorithms (including reduced precision versions) tailored for GPUs, and the importance of developing standardized libraries and programming models.
This document aims to describe the methodology of quantum lattice gas algorithm based quantum physics simulations with details on implementation using graphics processing units. A variety of examples illustrating the general application of these methods are included. These examples are used to highlight topics such as scaling, potentials, momentums, multiple particle and dimensions, and various Hamiltonians in quantum simulations. Although intended to fullfill the doctor of philosophy degree requirement, this document is well suited as an introduction to this approach to modeling physics. In recent times parallelization has significantly improved the available computational power. Graphics processing units (GPUs) are a shining example of this, with thousands of compute cores and continually improved general computational capabilities, these processors can outshine their central processing unit (CPU) counterparts by orders of magnitude. Presented here are a number of examples of efficient computational methods for simulating physics using GPUs. Our quantum simulation method involves the quantum lattice gas model of quantum computation [59, 68, 64], however much of the parallel technology implementation is applicable to other numerical approaches. The quantum lattice gas model of computation is based on a unitary stream-collide quantum algorithm applied repeatedly over time upon an ordered array of qubits [53, 56, 68, 61, 63, 67]. The stream-collide quantum algorithm represents local quantum evolution of the system of quantum particles whose motion is constrained to reside on a spacetime lattice. Each particle in the system undergoes a quantum walk, interacting locally with other particles in the system that may reside on the same point. We will first mathematically describe the basic idea of quantum lattice gas algorithms. Next we will discuss GPUs and the basic features needed for implementation. We will then describe several examples of quantum lattice gas algorithm approach to illustrate the various applications and implementation challenges. Of particular interest is a look at modeling time-dependent many-body quantum mechanics using quantum lattice gas methods. For practical purposes we focus on the case of two fermions governed by the nonrelativistic Schrödinger equation. Numerical comparisons to analytic prediction show the high accuracy of these methods. Quantum lattice gas methods are chosen as a unitary algorithm for time dependent quantum simulation as they are efficient, accurate, and avoid the Fermi sign problem. Our findings from two-particle simulations under various conditions include the physics of the one and two particle systems diverging in their respective time-dependent behavior with increasing entanglement. We also confirm the multiple particle extension of the Ehrenfest theorem. Using the examples discussed throughout this document, we will then describe our specific computational implementation utilizing the computational power of GPUs through Nvidia’s compute unified device architecture (CUDA) language. Here we will discuss the open source software our group is developing based on these methods, along with some implementation verification and debugging concepts. Education is another application peripherally connected to this work and our software. The applications of this type of modeling as a learning tool is not fully explored yet, but the opportunities are promising.
Quantum-dot cellular automata (QDCA) hold great potential to produce the next generation of computer hardware, but their development is hindered by computationally intensive simulations. Our research therefore focuses on rewriting one such simulation to run parallel calculations on a graphics processing unit (GPU). We have decreased execution time from 33 hours 11 minutes to 1 hour 39 minutes, but current progress has shown that further gains are possible. The calculation of eigenvectors holds particular promise for acceleration. Our research has two components: testing MATLAB’s algorithm for these calculations and creating a C-based algorithm to improve on MATLAB’s execution time. MATLAB requires 0.2352 +/- 0.0074 seconds to execute this function, while our function requires 0.0674 +/- 0.0143 seconds. Further, our function’s iterative and many-threaded nature makes it ideal for parallel implementation in the CUDA language, which is expected to further increase execution speed. At the time of this writing, implementation is ongoing. Our presentation shall focus on our functions’ efficiency increases over their MATLAB counterparts, and the application of GPUs’ immense computational power to QDCA device simulation.