Solving the 3D Schr枚dinger Equation on a GPU
文献类型：会议论文
| 作者 | Liu, Qingjun1,2; Liu, Fang3; Hou, Chaofeng4 |
| 出版日期 | 1905-07-12 |
| 会议日期 | December 18, 2019 - December 21, 2019 |
| 会议地点 | Trivandrum, Kerala, India |
| 关键词 | Finite difference time domain method - Computer graphics - Program processors - Electric fields - Software testing |
| 卷号 | 171 |
| DOI | 10.1016/j.procs.2020.04.032 |
| 页码 | 312-321 |
| 英文摘要 | Solving the 3D Schr枚dinger equation is of great interests in many branches of physical sciences and is usually a computing intensive task. Modern graphics processing units (GPUs) are extensively employed in the general purpose computing domain due to their high performance parallel processing capability. In this paper, an algorithm for solving the time-independent 3D Schr枚dinger equation with a finite difference time domain (FDTD) method is presented, together with an implementation of the algorithm by using CUDA (Compute Unified Device architecture) C. The GPU-based solver is validated in four cases: 3D Coulomb potential, 3D harmonic oscillator, three coupled anharmonic oscillators, and H 2+. Additionally, a CPU-based solver that is a serial program is developed according to the same FDTD method for the purpose of testing the effectiveness of the GPU-based solver. Relative to the CPU-based solver that employs one core of a multi-core CPU, the GPU-based solver can achieve a speed-up of more than 90X, 60X, 40X, and 90X in the case of 3D Coulomb potential, 3D harmonic oscillator, three coupled anharmonic oscillators, and H 2+, respectively. The GPU-based solver can accelerate the solution of the 3D Schr枚dinger equation. 漏 2020 The Authors. Published by Elsevier B.V. |
| 项目编号 | This work was supported in part by Beijing Natural Science Foundation grant no. flfl320fl7, Beijing Municipal Education Commission&rsquo ; s major scientific project grant no. KZ20fl9fl00fl70fl9, and the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry. We thank the Computer Network Information Center and the Institute of Process Engineering, the Chinese Academy of Sciences, for providing computing support. |
| 资助机构 | Elsevier B.V., Netherlands |
| 会议录 | 3rd International Conference on Computing and Network Communications, CoCoNet 2019
 |
| 学科主题 | Graphics Processing Unit |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/59269]  |
| 作者单位 | 1.Department of Mathematics and Physics, Beijing Institute of Petro-chemical Technology, Beijing; 102617, China 2.Institute of Nano-photoelectronics and High Energy Physics, Beijing Institute of Petro-chemical Technology, Beijing; 102617, China 3.Computer Network Information Center, Chinese Academy of Sciences, Beijing; 100190, China 4.Institute of Process Engineering, Chinese Academy of Sciences, Beijing; 100190, China |
| 推荐引用方式 GB/T 7714 | Liu, Qingjun,Liu, Fang,Hou, Chaofeng. Solving the 3D Schr枚dinger Equation on a GPU[C]. 见:. Trivandrum, Kerala, India. December 18, 2019 - December 21, 2019. |
入库方式： OAI收割
来源：过程工程研究所
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