8 search results - page 1 / 2 » Monte Carlo Method for Calculating the Electrostatic Energy ... |
ICCS
2003
Springer
13 years 10 months ago
2003
Springer
The problem of computing the electrostatic energy of a large molecule is considered. It is reduced to solving the Poisson equation inside and the linear Poisson-Boltzmann equation ...
JCC
2008
13 years 4 months ago
2008
: Quantum Monte Carlo (QMC) calculations require the generation of random electronic configurations with respect to a desired probability density, usually the square of the magnitu...
FPL
2008
Springer
13 years 6 months ago
2008
Springer
Today, quasi-Monte Carlo (QMC) methods are widely used in finance to price derivative securities. The QMC approach is popular because for many types of derivatives it yields an es...
ICCS
2001
Springer
13 years 9 months ago
2001
Springer
Abstract. The results of analytical approximations and extensive calculations based on a path integral Monte Carlo (PIMC) scheme are presented. A new (direct) PIMC method allows fo...
JCC
2007
13 years 4 months ago
2007
: We report a numerical technique that allows the quantum effects of zero-point motion to be incorporated into Pair Distribution Functions calculated classically for molecules usin...