Our leading edge computational modeling capabilities are a powerful solution that allows researchers to clarify and augment knowledge gained from experimental data to produce the most comprehensive picture of the ultimate fate of nanomaterials in the environment. State-of-the-science quantum chemical and molecular dynamics approaches are used to predict the properties of nanoparticles that drive their ultimate transport, fate and toxicity.
Molecular dynamics models predict the interaction of silver nanoparticle coatings with environmental matrices
ERDC’s high performance computing facility enables fast computations using state of the art facilities
Research Chemist