2. 您的位置
3. 首页
4. 会议论文
5. Parallel Scalability of Hartree-Fock Calculations

Parallel Scalability of Hartree-Fock Calculations

来源 :第八届工业与应用数学国际大会 | 被引量 : 0次 | 上传用户：psobb045

【摘 要】

：

　　Quantum chemistry is increasingly performed using large cluster computers consisting of multiple interconnected nodes.For a fixed molecular problem,calculat

【作 者】

：

Chow Edmond 

【机 构】

：

Georgia Inst.of Tech.

【出 处】

：

第八届工业与应用数学国际大会

【发表日期】

：

2015年期

下载到本地 , 更方便阅读

下载此文 赞助VIP

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

　　Quantum chemistry is increasingly performed using large cluster computers consisting of multiple interconnected nodes.For a fixed molecular problem,calculation efficiency usually decreases as more nodes are used.

其他文献

Red Queen Dynamics in Specific Predator-prey Systems

　　The dynamics of a predator-prey system are studied,with a comparison of discrete and continuous strategy spaces.For a 2X2 system,the average strategies used

会议

Injury-initiated Clot Formation under Flow:A Mathematical Model with Warfarin Treatment

　　When an individual at risk for forming a thrombus is treated with anticoagulant medication,the International Normalized Ratio(INR)must be measured regularly

会议

A New Mathematical Model of Tumor Growth,Treatment and Regression

　　Pharmacometricians are often constrained in what types of mathematical constructs they may apply to modeling drug efficacy and safety.Current scientific fra

会议

Gierer-Meinhardt System with Activator Production Saturation and Gene Expression Time Delays

　　Gierer-Meinhardt reaction-diffusion system is one of prototypical models for spatial-temporal pattern formation.The dynamics of Gierer-Meinhardt system with

会议

Recent Development of Mathematical Models in Computational Biology

　　One of the central problems in biology is to understand the design principles of complex biological systems.Mathematical and computational models of biologi

会议

Identifiability and Nature of Solutions in Models of Tumor Growth and Treatment

　　Delay differential equation models of solid tumor treatment with taxanes(anti-mitotic drugs)and platinum-based compounds will be presented.

会议

Identifiability and Interacting Scales in Modeling Disease Dynamics

　　Disease dynamics involve interacting factors at multiple scales,and modeling these processes can involve working with a wide range of(sometimes incomplete)d

会议

Large-scale Ab Initio Simulations Based on Systematically Improvable Atomic Basis

　　Atomic orbitals have many advantages as basis sets for ab initio electronic structure calculations.However,the atomic basis sets must be constructed very ca

会议

Recent Developments in the Modeling,Simulation and Analysis of Mathematical Models Arising from Biol

　　Mathematical modeling is an effective and powerful tool in understanding complex biological phenomena.These models,using tools from diverse areas of mathema

会议

Localized Resolution-of-identity Approach to Correlated Methods under Periodic Boundary Condition

　　The implementation of correlated methods with numerical atomic orbitals(NAO)for infinite periodic systems is challenging.With a recently developed resolutio

会议