Computational modeling of materials at the molecular level allows
for the development of insight into the relationship between the molecular structure and
the material's end-use properties. Software capabilities are applied to molecular
dynamics and Monte Carlo simulations of polymers and interfaces, chemical kinetics and
transport properties, and moisture and fluid diffusion to name a few.
Computational modeling of materials at the molecular level allows
for the development of insight into the relationship between the molecular structure and
the material's end-use properties. Software capabilities are applied to molecular
dynamics and Monte Carlo simulations of polymers and interfaces, chemical kinetics and
transport properties, and moisture and fluid diffusion to name a few.