An obvious shortcoming of classical trajectory simulations of chemical reactions is their limitation to short timescale processes.
Crystal-melt interfaces at the triple point have been investigated by molecular dynamics techniques.
Molecular dynamics computer simulation has been utilized to study physical and chemical properties of the highly reactive element fluorine in its fluid phases.
Nanofluids have been proposed as a route for surpassing the performance of currently available heat transfer liquids in the near future.
We have performed molecular dynamics simulations to compute the surface energies of the Si(111)-2x1, 5x5, 7x7 reconstructions.
We discuss the application of atomic scale computer models to bulk crystal growth and the formation of thin films.
Molecular dynamics simulation employing 1000 atoms has been used to examine rapid chemical reactions in fluid sulfur at high temperature.
This paper discusses only a small subset of all devices and ideas that can be termed as molecular electronics leaving aside possibly some of the most interesting and promising directions.
We have studied the adsorption of molecular hydrogen onto the Si(111) 7 x 7 surface using UHV TEM at temperatures between room temperature and 780C.
The past few years have seen a number of studies involving the presence of molecular hydrogen trapped in a-Si:H.
