Sentence examples for simulations for the first from inspiring English sources

Then I spent a year in Ireland, at the chemistry department of Trinity College, Dublin, where I was doing computer simulations for the first time.

Furthermore, the average volume involved during atomic jumps for boundary migration is determined in MD simulations for the first time.

Chain exchange kinetics between triblock block copolymers of ABA-type with end block being soluble in solvent is investigated using dissipative particle dynamics simulations for the first time.

Membrane selectivity and gas permeability of bio-MOFs were computed considering flexibility of the structures in molecular simulations for the first time in the literature.

Presently, an in silico modeling was carried out on a large series of 263 PKCθ inhibitors using 3D-QSAR, molecular docking and molecular dynamics (MD) simulations for the first time.

Experimental measurements of the pressure drop across porous metals have been compared with computational fluid dynamics simulations, for the first time, for structures typified by large pores with small interconnecting "windows".

Slightly increasing wind erosion hazard (2 %) is projected by both the ALADIN and REMO model simulations for the second period.

Zeng et al. [16] performed simulations for the twentieth century by giving observed SST anomalies to an atmospheric general circulation model (AGCM) with a sophisticated land ecosystem model.

However, a comparison between the conformations obtained from docking and that from molecular dynamics simulations for the second ligand PHC revealed substantial changes in binding conformations.

Zeng et al. [ 16] performed simulations for the twentieth century by giving observed SST anomalies to an atmospheric general circulation model (AGCM) with a sophisticated land ecosystem model.

A flowing stream of argon gas is described by numeric simulation for the first time.