AQUASOL: An efficient solver for the dipolar Poisson-Boltzmann-Langevin equation

Journal of Chemical Physics

Volumn 132, Issue 6, 2010, Pages

  Koehl, Patrice ^a   Delarue, Marc ^b  

^a University of California   (United States)

^b CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL BIOLOGY; CONTINUUM MODEL; DIELECTRIC PERMITTIVITIES; ELECTROSTATIC POTENTIALS; JACOBIANS; LANGEVIN; LANGEVIN EQUATION; LOCAL ELECTRIC FIELD; MEMORY FOOTPRINT; MEMORY REQUIREMENTS; MULTI-GRID; NON LINEAR PDE; NONLINEAR FUNCTIONS; NONLINEAR PARTIAL DIFFERENTIAL EQUATIONS; NONUNIFORM; NUMERICAL EVIDENCE; ORIENTABLE; POISSON-BOLTZMANN; PRECONDITIONERS; QUASI-NEWTON SOLVERS; RESPONSE COEFFICIENT; SECOND ORDERS; SUBDOMAIN; SUPERLINEAR; TRUNCATED NEWTON METHOD;

AIRCRAFT ENGINES; BIOINFORMATICS; BIOLOGY; BOLTZMANN EQUATION; COMPUTATIONAL CHEMISTRY; CONTINUUM MECHANICS; CONVERGENCE OF NUMERICAL METHODS; DIFFERENTIAL EQUATIONS; ELECTRIC FIELDS; NEWTON-RAPHSON METHOD; NONLINEAR EQUATIONS; PERMITTIVITY; POISSON DISTRIBUTION; PROBLEM SOLVING;

POISSON EQUATION;

DNA; PROTEIN; WATER;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; NONLINEAR SYSTEM; STATIC ELECTRICITY;

ALGORITHMS; COMPUTER SIMULATION; DNA; MODELS, MOLECULAR; NONLINEAR DYNAMICS; PROTEINS; STATIC ELECTRICITY; WATER;

EID: 76749157270     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3298862     Document Type: Article

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