Electrostatics simulations on the cloud with NCLab
نویسندگان
چکیده
منابع مشابه
Electrostatics on the sphere with applications to Monte Carlo simulations of two dimensional polar fluids.
We present two methods for solving the electrostatics of point charges and multipoles on the surface of a sphere, i.e., in the space S2, with applications to numerical simulations of two-dimensional (2D) polar fluids. In the first approach, point charges are associated with uniform neutralizing backgrounds to form neutral pseudo-charges, while in the second, one instead considers bi-charges, i....
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Permanent multipoles (MTPs) embody a natural extension to common point-charge (PC) representations in atomistic simulations. In this work, we propose an alternative to the computationally expensive MTP molecular dynamics simulations by running a simple PC simulation and later reevaluate-"score''-all energies using the more detailed MTP force field. The method, which relies on the assumption tha...
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ژورنال
عنوان ژورنال: Journal of Computational and Applied Mathematics
سال: 2014
ISSN: 0377-0427
DOI: 10.1016/j.cam.2014.02.002