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DASHMM Accelerated Adaptive Fast Multipole Poisson-Boltzmann Solver on Distributed Memory Architecture 期刊论文
COMMUNICATIONS IN COMPUTATIONAL PHYSICS, 2019, 卷号: 25, 期号: 4, 页码: 1235-1258
作者:  Zhang, Bo;  DeBuhr, Jackson;  Niedzielski, Drake;  Mayolo, Silvio;  Lu, Benzhuo;  Sterling, Thomas
收藏  |  浏览/下载：184/0  |  提交时间：2019/03/05
Poisson-Boltzmann equation  boundary element method  DASHMM  distributed computing  
AFMPB: An adaptive fast multipole, Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2010, 卷号: 181, 期号: 6, 页码: 1150-1160
作者:  Lu, Benzhuo;  Cheng, Xiaolin;  Huang, Jingfang;  McCammon, J. Andrew
收藏  |  浏览/下载：133/0  |  提交时间：2018/07/30
Poisson-Boltzmann equation  Boundary integral equation  Node-patch method  Krylov subspace methods  Fast multipole methods  Diagonal translations  
Two-scale finite element Green's function approximations with applications to electrostatic potential computation 期刊论文
JOURNAL OF SYSTEMS SCIENCE & COMPLEXITY, 2010, 卷号: 23, 期号: 1, 页码: 177-193
作者:  Yang, Ying;  Zhou, Aihui
收藏  |  浏览/下载：90/0  |  提交时间：2018/07/30
Error analysis  finite element  Green's function  Poisson-Boltzmann equation  two-scale  
Image Charge Methods for a Three-Dielectric-Layer Hybrid Solvation Model of Biomolecules 期刊论文
COMMUNICATIONS IN COMPUTATIONAL PHYSICS, 2009, 卷号: 6, 期号: 5, 页码: 955-977
作者:  Qin, Peihua;  Xu, Zhenli;  Cai, Wei;  Jacobs, Donald
收藏  |  浏览/下载：113/0  |  提交时间：2018/07/30
Image charge methods  distance-dependent dielectric permittivity  hybrid implicit/explicit model  reaction field  Poisson-Boltzmann equation  protein  
A finite element recovery approach to Green's function approximations with applications to electrostatic potential computation 期刊论文
JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS, 2009, 卷号: 225, 期号: 1, 页码: 202-212
作者:  Yang, Ying;  Zhou, Aihui
收藏  |  浏览/下载：95/0  |  提交时间：2018/07/30
Finite element  Green's function  Recovery approach  Three dimensions  Electrostatic potential  Poisson-Boltzmann equation