An Adaptive Fast Multipole Boundary Element Method for Poisson−Boltzmann Electrostatics
نویسندگان
چکیده
منابع مشابه
An Adaptive Fast Multipole Boundary Element Method for Poisson−Boltzmann Electrostatics
The numerical solution of the Poisson-Boltzmann (PB) equation is a useful but a computationally demanding tool for studying electrostatic solvation effects in chemical and biomolecular systems. Recently, we have described a boundary integral equation-based PB solver accelerated by a new version of the fast multipole method (FMM). The overall algorithm shows an order N complexity in both the com...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2009
ISSN: 1549-9618,1549-9626
DOI: 10.1021/ct900083k