Open Access Open Access  Restricted Access Subscription or Fee Access

Application of Stochastic Differential Equation to Study the Dynamics and Statistical Aspects of a Diatomic Molecule

Nitin Sharma, Madhvi Shakya


Molecular dynamics simulation computes the motions of individual molecules in models of solids, liquids and gases, which describe how positions, velocities, and orientations change with time. In molecular dynamics study, if the objective is to study the dynamics of individual molecules, rather than studying the properties of complete system, then Langevin and Brownian dynamics are useful alternatives to molecular dynamics. Sometimes, in molecular dynamics, the extraction of physically meaningful essential dynamics of a molecule becomes very important by incorporating the solvent effects and by studying the effect of viscous force due to the solvent. In this paper we have made an attempt to study the statistical and dynamical behavior of a diatomic molecule O2 in water by using mathematical model of stochastic differential equation. This model incorporates the important parameters like acceleration, intermolecular force, frictional force and random force. Here we have used forward Euler method to solve the given model.


Stochastic differential equation, Weiner process, White noise, Potential energy function.

Full Text:


Disclaimer/Regarding indexing issue:

We have provided the online access of all issues and papers to the indexing agencies (as given on journal web site). It’s depend on indexing agencies when, how and what manner they can index or not. Hence, we like to inform that on the basis of earlier indexing, we can’t predict the today or future indexing policy of third party (i.e. indexing agencies) as they have right to discontinue any journal at any time without prior information to the journal. So, please neither sends any question nor expects any answer from us on the behalf of third party i.e. indexing agencies.Hence, we will not issue any certificate or letter for indexing issue. Our role is just to provide the online access to them. So we do properly this and one can visit indexing agencies website to get the authentic information.