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Model reduction-based initialization methods for solving the Poisson-Nernst-Plank equations in three-dimensional ion channel simulations 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2020, 卷号: 419, 页码: 18
作者:  Zhang, Qianru;  Gui, Sheng;  Li, Hongliang;  Lu, Benzhuo
收藏  |  浏览/下载：184/0  |  提交时间：2021/04/26
Reduced model  Poisson-Nernst-Planck  Smoluchowski-Poisson-Boltzmann  Initialization  Linear approximation of PNP model  Finite element method  
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：221/0  |  提交时间：2019/03/05
Poisson-Boltzmann equation  boundary element method  DASHMM  distributed computing  
A Finite Element Solution of Lateral Periodic Poisson-Boltzmann Model for Membrane Channel Proteins 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 3, 页码: 17
作者:  Ji, Nan;  Liu, Tiantian;  Xu, Jingjie;  Shen, Longzhu Q.;  Lu, Benzhuo
收藏  |  浏览/下载：202/0  |  提交时间：2018/07/30
laterally periodic Poisson-Boltzmann model  finite element method  membrane channel proteins  pore region  solvation  
Introducing Membrane Transport Energy into the Design of Sustainable Chemicals against Cytotoxicity 期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2018, 卷号: 6, 期号: 2, 页码: 2055-2061
作者:  Shen, Longzhu Q.;  Nan, Ji;  Lu, Benzhuo
收藏  |  浏览/下载：178/0  |  提交时间：2018/07/30
DFT  Cytotoxicity  Membrane  Finite element  Poisson Boltzmann  Geometry  Sustainability  
ANALYSIS OF THE MEAN FIELD FREE ENERGY FUNCTIONAL OF ELECTROLYTE SOLUTION WITH NONHOMOGENOUS BOUNDARY CONDITIONS AND THE GENERALIZED PB/PNP EQUATIONS WITH INHOMOGENEOUS DIELECTRIC PERMITTIVITY 期刊论文
SIAM JOURNAL ON APPLIED MATHEMATICS, 2018, 卷号: 78, 期号: 2, 页码: 1131-1154
作者:  Liu, Xuejiao;  Qiao, Yu;  Lu, Benzhou
收藏  |  浏览/下载：199/0  |  提交时间：2018/07/30
free energy functional  electrolyte  boundary conditions  variable dielectric  generalized Poisson-Nernst-Planck/Poisson-Boltzmann equations  energy law  
STABILITY OF THE SUPERPOSITION OF A VISCOUS CONTACT WAVE WITH TWO RAREFACTION WAVES TO THE BIPOLAR VLASOV POISSON BOLTZMANN SYSTEM 期刊论文
SIAM JOURNAL ON MATHEMATICAL ANALYSIS, 2018, 卷号: 50, 期号: 2, 页码: 1829-1876
作者:  Li, Hai-Liang;  Wang, Teng;  Wang, Yi
收藏  |  浏览/下载：193/0  |  提交时间：2018/07/30
bipolar Vlasov Poisson Boltzmann system  rarefaction wave  viscous contact wave  time-asymptotic stability  micro-macro decomposition  
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：175/0  |  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：114/0  |  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：145/0  |  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：116/0  |  提交时间：2018/07/30
Finite element  Green's function  Recovery approach  Three dimensions  Electrostatic potential  Poisson-Boltzmann equation