Propulsion Futures Beacon modelling workshop: How can computational chemistry assist your research?

Come along to this event and present a research project where you believe computational chemistry could have an impact.

Computational chemistry is the development and practical application — through high-performance computing — of quantum and classical mechanics (and informatics) to the study of chemical processes ranging from fundamental spectroscopic events in the gas phase to the nature of the properties of molecular materials.

Computational chemistry techniques are recognised as important tools in the chemical sciences where they are employed to answer questions posed by fundamental science and to challenging problems faced by industry.

Description and link to a recent example publication:

Recent work by members of the Theoretical and Computational Chemistry Group has made the accurate atomistic vibrational analysis of systems of carbon nanotubes and graphene with thousands of atoms possible.

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