This paper concerns Kinetic Monte Carlo (KMC) algorithms that have a singleevent execution time independent of the system size. Two methods are presented— one that combines the use of inverted-list data structures with rejection Monte Carlo and a second that combines inverted lists with the Marsaglia-Norman-Cannon algorithm. The resulting algorithms apply to models with rates that are determine...

In the present study, the kinetics of biodiesel production through transesterification of Brassica carinata oil with methanol in the presence of Potassium Hydroxide is investigated by kinetic Monte Carlo simulation. The obtained results from simulation agree qualitatively with the existing experimental data. The kinetics data for each step of suggested mechanism are confirmed by simulation. By ...

A novel model consisting of basic micro-processes has been developed on the basis of the classic diffusion theory. It is first time that the concept of exchange rate has been introduced and the growing process of surfactant-mediated epitaxial thin-film growth has been simulated with Kinetic Monte Carlo (KMC) technique. The results of simulation found that the exchange reaction of RLA model is a...

in this paper, the pricing of a european call option on the underlying asset is performed by using a monte carlo method, one of the powerful simulation methods, where the price development of the asset is simulated and value of the claim is computed in terms of an expected value. the proposed approach, applied in monte carlo simulation, is based on the black-scholes equation which generally def...

A novel parallel kinetic Monte Carlo (kMC) algorithm formulated on the basis of perfect time synchronicity is presented. The algorithm is intended as a generalization of the standard w-fold kMC method, and is trivially implemented in parallel architectures. In its present form, the algorithm is not rigorous in the sense that boundary conflicts are ignored. We demonstrate, however, that, in thei...

We have developed atomic scale simulations of thin film growth using Kinetic Monte Carlo (KMC) method. We have applied the method to the two extreme cases of GaAs(100) growth and to the dry oxidation of Si(100), observing similar features. We show that these features are characteristics of molecule-surface interactions We consider that the molecules As2 and O2 are first adsorbed in the physisor...

The determination of gyration radius is a strong research for configuration of a Macromolecule. Italso reflects molecular compactness shape. In this work, to characterize the behavior of theprotein, we observe quantities such as the radius of gyration and the average energy. We studiedthe changes of these factors as a function of temperature for Acetylcholine receptor protein in gasphase with n...

one of known methods for measuring, forecasting and managing risk is value at risk, which recently has been used by financial institutions extensively. value at risk (var) is a method for recognizing and evaluating risk and uses standard statistical techniques that have daily using in other contexts. this research is seeking a career for managing investment risk in stock exchange and selection ...

We present a computer-assisted approach to approximating coarse optimal switching policies for systems described by microscopic/stochastic evolution rules. The “coarse timestepper” constitutes a bridge between the underlying kinetic Monte Carlo simulation and traditional, continuum numerical optimization techniques formulated in discrete time. The approach is illustrated through a simplified ki...