Sentence examples for molecular simulation is from inspiring English sources

Here the role of molecular simulation is not limited as a standard to test the reliability of the models.

Molecular simulation is an important and ubiquitous tool in the study of microscopic phenomena in fields as diverse as materials science, protein folding and drug design.

Molecular simulation is an increasingly important and useful tool in the design of devices based on many types of chemical phenomena.

The results of this study indicate that static molecular simulation is a useful tool to predict the bulk-level nonlinear mechanical behavior of polymers for finite deformations.

Molecular simulation has many appealing features, especially its requirement of fewer tuned parameters but yet better predicting capability; however it is well known that molecular simulation is very CPU expensive, as compared to equation of state approaches.

Molecular simulation is used to probe the structure property relationships displayed by polysulphone (PS) and polyethersulphone (PES) and reproduces closely the temperatures at which thermal degradation occurs (and the glass transition temperatures).

Molecular simulation was also made on the basis of the radius distribution function.

Molecular simulation was successfully introduced for the rational design of MMIPs.

Molecular simulation was used to calculate the physico-mechanical properties of a linear epoxy system.

Molecular Simulation was systematically used to study the relationship between structure and catalytic performance of C1-bridged Zirconium metallocenes.

In addition, molecular simulation was used to discuss the adsorption mechanism and good agreement with electrochemical results was obtained.