Title : Employment of molecular simulation approaches in nanoscience and nanotechnology
Abstract:
The molecular simulation technique is a very efficient and significant approach to perform insight study on the thermodynamic and mechanical behaviour of nanomaterials. This approach is helpful to give an appropriate association along with underlying mechanisms at the atomic level. This is very unique technique which is able to detect and correlate critically current and future aspects of nanoparticles and nanomaterials along with their thermodynamic and mechanical behaviour in the perspective of the molecular/atomic scale simulations with the deformation process. More precisely, this molecular simulation approach aimed to provide the qualitative analysis on the nanoparticles and nanomaterials at the different orientation and operating conditions which is helpful to carried out the behavioural study on the nanomaterials by using Monte Carlo (MC) and Molecular Dynamics (MD) simulations technique. This approach is also be able to provide contributory research findings toward progress in the field of nanoscience and nanotechnology. The Monte Carlo (MC) and Molecular dynamics (MD) simulation techniques are frequently used approaches now a day’s which are supportive to perform a thermodynamic and mechanical analysis on a particular model based nanomaterials. These techniques are also employed to design a significant and effective nanoparticles for some specific application point of view. Because of fast developments of the computational algorithm these techniques (i.e. Monte Carlo and Molecular Dynamics Simulations) are playing very important and effective role to understand the mechanism of nanoparticles and nanomaterials at different operating conditions. Further, the multiscale modelling and simulation techniques are frequently used to analyse and define the nanoparticles and nanomaterials in a significant way. As a beginner people faced many difficulties to perform their research related to nanoparticles and nanomaterials by using these approaches. Hence, this talk would be helpful to start a very basic fundamental molecular simulations on nanoparticles and nanomaterials towards higher level simulations. This talk will also cover all the challenges and opportunities faced by a beginner to study on the nanoparticles and nanomaterials by using significant molecular simulation techniques.
