4 Year PhD studentship in improving the modelling of the interplay between inter- and intramolecular forces in organic crystal structures at University College London, UK
Study Subject(s):Improving the modelling of the interplay between inter- and intramolecular forces in organic crystal structures
Course Level![:P]()
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Scholarship Provider: University College London, UK
Scholarship can be taken at: UK
Eligibility: Applicants require a good MSci degree in Chemistry or Physics, with experience in electronic structure and/or atomistic modelling.
Scholarship Open for International Students: No
Scholarship Description: Improving the modelling of the interplay between inter- and intramolecular forces in organic crystal structures – Profs Sarah (Sally) L. Price and C. Richard A. Catlow. 4 Year PhD studentship, fully funded for students who satisfy EPSRC UK residency requirements. A major challenge to current theoretical methods is to predict organic solid state properties with the accuracy needed to solve industrial problems. The PhD project will assess a range of computational chemistry methods, based on periodic and molecular ab initio calculations, the theory of intermolecular forces, and various intermediate approximations, for modelling the energies of different crystal structures of small organic molecules which represent common flexible components of modern pharmaceuticals. The project will complement work on the prediction of crystal structures of industrially important molecules. The PhD position is within the Control of the Organic Solid State group and within the Thomas Young Centre.
How to Apply: Online
Scholarship Application Deadline: 30 May 2011
Study Subject(s):Improving the modelling of the interplay between inter- and intramolecular forces in organic crystal structures
Course Level
Scholarship Provider: University College London, UK
Scholarship can be taken at: UK
Eligibility: Applicants require a good MSci degree in Chemistry or Physics, with experience in electronic structure and/or atomistic modelling.
Scholarship Open for International Students: No
Scholarship Description: Improving the modelling of the interplay between inter- and intramolecular forces in organic crystal structures – Profs Sarah (Sally) L. Price and C. Richard A. Catlow. 4 Year PhD studentship, fully funded for students who satisfy EPSRC UK residency requirements. A major challenge to current theoretical methods is to predict organic solid state properties with the accuracy needed to solve industrial problems. The PhD project will assess a range of computational chemistry methods, based on periodic and molecular ab initio calculations, the theory of intermolecular forces, and various intermediate approximations, for modelling the energies of different crystal structures of small organic molecules which represent common flexible components of modern pharmaceuticals. The project will complement work on the prediction of crystal structures of industrially important molecules. The PhD position is within the Control of the Organic Solid State group and within the Thomas Young Centre.
How to Apply: Online
Scholarship Application Deadline: 30 May 2011
