检索结果-南通市图书馆

A Better Bedroom

引用

空中英语教室（初级版．大家说英语） 2012年第3期 42-42,55,56页

作者： marcia Fry

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Bad Weather

引用

空中英语教室（初级版．大家说英语） 2012年第3期 32-33,53页

作者： marcia Fry

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Numerical Optimization of a Walk-on-Spheres Solver for the Linear Poisson-Boltzmann Equation

引用

Communications in Computational Physics 2013年第1期13卷 195-206页

作者： Travis Mackoy Robert C.Harris Jesse Johnson Michael Mascagni marcia O.Fenley Institute of Molecular Biophysics Florida State UniversityTallahasseeFL 32306USA Department of Physics Florida State UniversityTallahasseeFL 32306USA Departments of Computer Science Mathematics and Scientific ComputingFlorida State UniversityTallahasseeFL 32306USA

Stochastic walk-on-spheres(WOS)algorithms for solving the linearized Poisson-Boltzmann equation(LPBE)provide several attractive features not available in traditional deterministic solvers:Gaussian error bars can be computed easily,the algorithm is readily parallelized and requires minimal memory and multiple solvent environments can be accounted for by reweighting ***,previouslyreported computational times of these Monte Carlo methods were not competitive with existing deterministic numerical *** present paper demonstrates a series of numerical optimizations that collectively make the computational time of these Monte Carlo LPBE solvers competitive with deterministic *** optimization techniques used are to ensure that each atom’s contribution to the variance of the electrostatic solvation free energy is the same,to optimize the bias-generating parameters in the algorithm and to use an epsilon-approximate rather than exact nearest-neighbor search when determining the size of the next step in the Brownian motion when outside the molecule.

关键词： Poisson-Boltzmann equation walk-on-spheres solvation

来源：

维普期刊数据库评论