Sentence examples for molecular dynamic works from inspiring English sources

In numerical studies, some excellent molecular dynamic works have been carried out recently to analyse the possible heat transfer mechanisms between nanoparticle and fluid [18,19], such as Chiavazzo's research on nanofins [20,21].

In this work, molecular dynamic simulations were performed to elucidate the molecular determinant of the enzyme activity.

The second experiment concerned the task graphs derived from real world applications such as montage work flow, molecular dynamic code.

In the present work, classical Molecular Dynamic simulations have been performed to peruse the effect of different grain sizes, temperatures and strain rates for different percentage of boron and nitrogen doping on the mechanical properties of polycrystalline graphene.

In this work, we have done molecular dynamic simulations using classical potentials to determine the nature of concentrated (0.5 16 m) NaCl water mixtures under ambient (25°C, 1 bar), hydrothermal (325°C, 1 kbar) and deep crustal (625°C, 15 kbar) conditions.

The recognition processes have been studied by means of varying spectroscopic methods and the overall mechanistic aspect of this work rationalised with the help of molecular dynamic simulation.

We evaluated the virtual screened model of cysteine synthase using the molecular dynamic stability criteria by performing the molecular dynamic simulation study using GROMACS 4.0.6 software package.

This work developed a method to select the superior precursors instantaneously using molecular dynamic simulation.

Experimental work and mathematical modelling of the coalescence process are both reviewed, including various models, such as molecular dynamic simulation, random collision/coalescence modelling, and linear condensation polymerisation kinetics.

In theory at least the dynamic works well for them.

molecular dynamic simulations.