the hydration of biomolecules is vitally important in molecular biology, so in this paper thesolvation energy and radial distribution function of dna bases have been calculated by themonte carlo simulation.the geometries of isolated adenine, guanine, cytosine, and thyminehave been optimized using 6-31+g(d,p) basis function sets. these geometries then will be used inthe monte carlo calculation o...

In the current research, thermal conductivity of magnetite (Fe3O4) has been calculated using molecular dynamic simulation. The rNEMD Molecular Dynamics Method provided in the LMMPS package is used for the simulation of the thermal conductivity. The effects of magnetite layer size and temperature on the thermal conductivity have been investigated. The numerical results have...

a simulation-based optimization approach for the purpose of finding a near-optimal answer can be efficient and effective. In the present paper, first, the mathematical model for the project activity scheduling problem has been presented with a job shop approach. Then, using the Arena 14 software, the simulation model has been designed. Consequently, a numerical example has been solved via runni...

In this paper a novel design of all-optical half-subtractor based on nonlinear directional coupler is proposed. By using four waveguides and appropriately adjusting the refractive indices and selecting the proper length of waveguides, halfsubtractor function can be obtained. The operation of this function is simulated by RSoft CAD-Layout (BeamPROP) simulator. The simulation results confirm the ...

The splitting method is a simulation technique for the estimation of very small probabilities. In this technique, the sample paths are split into multiple copies, at various stages in the simulation. Of vital importance to the efficiency of the method is the Importance Function (IF). This function governs the placement of the thresholds or surfaces at which the paths are split. We derive a char...

In this manuscript, we consider the interpolative contractions mappings via simulation func-tions in the setting of complete metric space. We also express an illustrative example to show the validity of our presented results.

In the present study, a modified Structure Function was introduced. In this modified Structure Function model, the coefficient of model was computed dynamically base on the coherent structure in the flow field. The ability of this Modified Structure Function was investigated for complex flow over a square cylinder in free stream and a low aspect ratio cylinder confined in a channel. The Results...

in this paper, we introduce a hybrid approach based on neural network and optimization teqnique to solve ordinary differential equation. in proposed model we use heyperbolic secont transformation function in hiden layer of neural network part and bfgs teqnique in optimization part. in comparison with existing similar neural networks proposed model provides solutions with high accuracy. numerica...