Understanding Biomolecular Self-Assembly - PhD position in Computational / Theoretical Chemistry

Understanding Biomolecular Self-Assembly

The position is in the research group of Dr. Tell Tuttle (www.tuttlelab.com) and will involve the development and application of new computational methods for describing biomolecular self-assembly. Bioinspired synthetic nanomaterials formed by self-assembly offer unique opportunities for technological exploitation, but while a vast array of molecular architectures have been produced these often result from trial and error rather than a well-controlled design methodology. The successful candidate will develop and apply state-of-the-art computational methods to investigate the fundamental intermolecular processes that underpin the self-assembly of naturally-occurring and functionalised peptides. The development of the computational tools that are able to accurately describe the self-assembly process will ultimately lead to the predictive design of nanomaterials with tailored functionality.

State-of-the-art methods of quantum chemistry and molecular simulation, including combined quantum mechanics/molecular mechanics (QM/MM), will be applied to study structure, function, and properties of the materials. More information about the group’s activities can be found at http://www.tuttlelab.com

Applicants should hold the equivalent of a first or upper second class honours degree in chemistry, biochemistry, or a related discipline, and have a keen interest in computational scientific work, molecular simulation, and electronic structure. Previous experience with electronic-structure calculations, molecular-mechanics or molecular-dynamics simulations is an advantage, but not essential.