In organic solar cells, carbon-based polymers convert light into charges that are passed to an acceptor. Scientists have now calculated how this happens by combining molecular dynamics simulations ...

While the concept of quantum computing has been discussed for more than 40 years, only recently have experiments indicated that a practical quantum computer may be possible. Recent developments in ...

Interatomic Potentials and modelling as a tool in materials science – Prof Sir Richard Catlow, Dept. of Chemistry, UCL; School of Chemistry, Cardiff University; UK Catalysis Hub, Research Complex at ...

Scientists have used machine learning tools to create the first atomic-level model that accurately predicts the thermal properties of stanene, a 2-D material made up of a one-atom-thick sheet of tin.

Researchers are constantly seeking more efficient and economical electronic materials for next-generation energy storage devices to meet the demands of electric vehicles (EVs) and other devices that ...

Abstract: This presentation discusses computational modeling of complex materials behaviors under multi-physics conditions for Aerospace applications. We develop chemistry, physics, and ...

Abstract: Elastomers and polymers such as silicone and Kapton have a wide range of applications across engineering disciplines, including structural components and thermal shields in space structures.