GQSD: The Program for the Graphic Processing Units Accelerated Quantum Scattering Dynamics
文献类型：期刊论文
| 作者 | Zhang, Pei-Yu; Han, Ke-Li |
| 刊名 | international journal of quantum chemistry
 |
| 出版日期 | 2015-06-05 |
| 卷号 | 115期号:11页码:738-743 |
| 关键词 | GPU differential cross sections collision dynamics reaction probabilities time-dependent wavepacket |
| 英文摘要 | we describe in detail a graphic processing unit (gpu) based program that uses time-dependent wavepacket method for state-to-state quantum scattering dynamics of triatomic systems. two versions of the program are available with the propagation of wavepacket in reactant and product jacobi coordinates systems, respectively. two newly programmed methods are used to accelerate parallel computation of propagation and coordinate transformation of wave-packet. parallel performance on two gpus was shown to reach two orders of magnitude higher than serial performance on central processing unit (cpu) (c) 2015 wiley periodicals, inc. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, physical ; mathematics, interdisciplinary applications ; physics, atomic, molecular & chemical |
| 研究领域[WOS] | chemistry ; mathematics ; physics |
| 关键词[WOS] | state reactive scattering ; potential-energy calculations ; wave-packet ; simulation ; platforms ; equations |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000352815700008 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/146180]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Pei-Yu,Han, Ke-Li. GQSD: The Program for the Graphic Processing Units Accelerated Quantum Scattering Dynamics[J]. international journal of quantum chemistry,2015,115(11):738-743. |
| APA | Zhang, Pei-Yu,&Han, Ke-Li.(2015).GQSD: The Program for the Graphic Processing Units Accelerated Quantum Scattering Dynamics.international journal of quantum chemistry,115(11),738-743. |
| MLA | Zhang, Pei-Yu,et al."GQSD: The Program for the Graphic Processing Units Accelerated Quantum Scattering Dynamics".international journal of quantum chemistry 115.11(2015):738-743. |
入库方式： OAI收割
来源：大连化学物理研究所
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