Molecular dynamics simulation of complex multiphase flow on a computer cluster with GPUs

来源 :中国科学:化学英文版 | 被引量 : 0次 | 上传用户:guaitaidejiao
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
Compute Unified Device Architecture (CUDA) was used to design and implement molecular dynamics (MD) simulations on graphics processing units (GPU). With an NVIDIA Tesla C870, a 20-60 fold speedup over that of one core of the Intel Xeon 5430 CPU was achiev
其他文献
利用氮(N) 参予和做 N 的碳 nanocages (NCNC ) 的大表面区域, CoO < 潜水艇 class= “ a-plus-plus ” > x </sub> nanocrystals 方便地与高分散被使不能调动到 NCNC 上。CoO
Atomistic detailed hydration structures of poly(vinyl methyl ether)(PVME) have been investigated by molecular dynamics simulations under 300 K at various concen
In the present work, through the path integral of Gaussian type correlation function, a new formalism based on Fermi-Golden Rule for calculating the rate consta
Making use of the invariant property of the equilibrium size distribution of the hydrogen bonding clus- ters formed in hydrogen bonding system of AaDd type,the
We introduce a new method for separation/enrichment of the low-content cellular protein in high mo-lecular weight on the basis of molecular imprinting. The temp
Well resolved far-infrared spectra of 1,4-benzoquinone, 1,4-naphthoquinone, and 9, 10-anthraquinonme in polycrystalline form have been measured with terahertz t
The precursor of ZnO has been prepared by refluxing in ethanol at 70℃ for 4 h using ZnAc2&#183;H2O as the initial agent. Then ZnO has been prepared from the re
A series of poly{2,5-bis[(4-butoxyphenyl)-oxycarbonyl]styrenes} (PBPCS) with low molecular weight distribution was synthesized by atom transfer radical polymeri
A new data-processing method was established and applied for optical enzymatic glucose sensing,in which oxygen and glucose were simultaneously consumed.The oxyg