Sentence examples for by atomistic simulation is from inspiring English sources

Here, we note that the larger value of elastic modulus measured by atomistic simulation is due to the loading rate used in simulation being a few orders of magnitude larger than the rate considered in AFM experiments.

Despite this discrepancy local contributions to the glass transition as predicted by atomistic simulation, are sufficient to determine Tg.

At this length scale, atomistic simulation is a very useful tool to study the cutting process.

This atomistic simulation was initiated from the configuration of STX/PM complex from the preceding CMG simulations as described above (see also Figure 3).

Atomistic simulations are increasingly important in scientific and engineering applications.

The atomistic simulations are used to verify the continuum results.

The starting configurations for the atomistic simulations were created using a hybrid Monte Carlo/molecular dynamics method capable of finding equilibrium chemical composition and structural configuration.

Here, experiments and atomistic simulations are synergically used to elucidate the non-trivial interplay between nanopore hydrophilicity and surface barriers on the overall water transport through zeolite crystals.

Atomistic simulations were performed using GROMACS 4.0.7 (www.gromacs.org) (15− 15−.

Although atomistic simulations are able to reproduce several bilayer-related phenomena, they are under continuous development.

Atomistic simulations were performed, using the end points from the vsp_away-3 and vsp_away-4 simulations as starting configurations.