Density functional theory

New high-resolution chemical insights reveal novel opportunities for making plastic production greener, more cost-effective and more efficient.

An easy route to polymer coatings with potential use in biofouling prevention

Researchers model new route
to molecular wires suitable for use in miniature electronics

Supercomputer
simulations shorten development time of rigid fluorescent molecules used to clarify
protein structure and dynamics

Two-dimensional
organic lattices are easier and safer to work with than inorganic materials for
spintronic and quantum computing applications

A theoretical and experimental study could lead to improved catalysts for producing hydrogen fuel from waste biomass