The forward--backward semiclassical dynamics (FBSD) methodology is used to obtain expressions for time correlation functions of a system (atom or molecule) in solution. We use information-guided noise reduction (IGNoR) [Makri, N. Chem. Phys. Lett. 2004, 400, 446] to minimize the statistical error associated with the Monte Carlo integration of oscillatory functions. This is possible by reformula...

Techniques for using the Monte Carlo method to evaluate fuzzy Riemann integrals and improper fuzzy Riemann integrals are proposed in this paper. Owing to the α-level set of the (improper) fuzzy Riemann integral being the closed interval whose end points are the classical (improper) Riemann integrals, it is possible to invoke the Monte Carlo method to approximate the end points of the α-level cl...

Monte Carlo integration is a widely used method to approximate high dimensional integrals. However, the randomness of this method causes the convergence to be very slow. Quasi-Monte Carlo integration uses low discrepancy sequences instead of pseudorandom sequences. The points from these sequences are more uniformly distributed. This causes the convergence to be much faster. Most research in qua...

For Halloween, we come as a math course 1 Monte Carlo Integration Suppose we want to evaluate a definite integral,

In this paper we present and analyze a quasi-Monte Carlo method for solving elliptic boundary value problems. Our method transforms the given partial differential equation into an integral equation by employing a well known local integral representation. The kernel in this integral equation representation can be used as a transition density function to define a Markov process used in estimating...

Table 1: An example of clone-probe hybridization data in the absence of errors Reconstructing a physical map of a chromosome from a genomic library presents a central computational problem in genetics. Physical map reconstruction in the presence of errors is a problem of high computational complexity. Parallel Monte Carlo methods for a maximum likelihood estimation-based approach to physical ma...

Electron tomography has been widely applied to three-dimensional (3D) morphology characterization and chemical analysis at the nanoscale. A HAADF-EDS bimodal tomographic (HEBT) reconstruction technique developed extract high resolution element-specific information. However, reconstructed elemental maps cannot be directly converted quantitative compositional In this work, we propose a quantifica...

monte carlo methods designed base on stochastic reiterations and can be useful in uncertainty conditions. the purpose of this research was investigation of uncertainty to rank desertification indicators. in order to decrease uncertainty have been applied monte carlo reiterations for each value of indicator, if rank of xi is higher than rank of xk constantly. using multi dimension integrals the ...

Quantum Monte Carlo (QMC) methods such as Variational Monte Carlo, Diffusion Monte Carlo or Path Integral Monte Carlo are the most accurate and general methods for computing total electronic energies. We will review methods we have developed to perform QMC for the electrons coupled to another MC simulation for the ions. In this method, one estimates the Born-Oppenheimer energy E(Z) where Z repr...