DPhil Student position in computational NMR and EPR spectroscopy
Topic: "Highly efficient quantum spin dynamics simulation
algorithms"
Oxford
University is offering a fully funded DPhil studentship in the field of
theoretical and computational magnetic resonance spectroscopy under the
supervision of Dr Ilya Kuprov at Oxford e-Research Centre.
This is a
theoretical project dealing with an old and important problem in magnetic
resonance - that of the exponential scaling of simulation complexity with the
number of particles in the system. Put simply, exponential scaling means that
NMR systems of more than about 10 spins are currently computationally
intractable – a major limitation, particularly in biomolecular NMR spectroscopy.
Our published
preliminary work indicates that a polynomially scaling algorithm can be
obtained (and accurate simulations performed for large numbers of coupled
spins) if certain transformations are applied to the quantum state space of the
systems in question. Specifically, it appears that large numbers of quantum
states can be dropped or treated approximately. In transformed state spaces,
spin dynamics simulations scale polynomially.
It is likely
that the successful student will make a major contribution to Magnetic
Resonance by exploring and developing the (hitherto unavailable) efficient
simulation methods for large spin systems.
Our group has
long-standing collaborations with Theoretical Chemistry and Biological NMR and
EPR groups at the Universities of Durham, Cambridge, London and a number of
international research centres. Supercomputer time will be provided by the
Oxford Supercomputing Centre.
The
studentship is fully funded (at EU fees level - overseas candidates will need
supplementary funding) for 4 years from 1st October 2010. The
studentship includes a stipend of £13290 per year. The successful
candidate will be provided with a workstation built to his/her specification.
Candidates must satisfy the
usual Oxford University requirements for studying for a doctorate. In addition,
the student should be skilled in theoretical chemistry and magnetic resonance
and must have good writing, communication, presentation, and organization
skills. Good programming and systems-building skills count as additional
qualification, given that, based on the theoretical results of this
project, software systems will be built.
Applications should be submitted
online by the deadline of 12 March 2010:
http://www.ox.ac.uk/admissions/postgraduate_courses/index.html
For
informal enquiries, please email Dr Ilya Kuprov ([log in to unmask]).