DPhil Studentship

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DPhil Studentship in Computational Chemistry
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Qualification Type:
PhD
Location:
Oxford
Funding for:
UK Students
Funding amount:
£15,609 per annum
Hours:
Full Time
Placed On:
4th March 2022
Closes:
25th March 2022
Reference:
FDG/iCASE/2022
EPSRC iCASE studentship - Prof. Fernanda Duarte
Applications are invited for a DPhil studentship in Computational and Theoretical Chemistry, available from October 2022, to work under the supervision of Prof. Fernanda Duarte in the Department of Chemistry at the **MEMBERS ONLY**SIGN UP NOW***.. The studentship is funded from an EPSRC iCASE grant in collaboration with AstraZeneca as a non-academic partner.
Scientific environment
The Duarte group has a great interest in developing computational models to elucidate complex (bio)chemical mechanisms and guide synthetic efforts (see the group website
for recent publications). The group strives to break down traditional barriers within chemistry, combining expertise in physical organic, supramolecular, and computational chemistry. The group offers a creative, international and inclusive work environment.
Project description
The successful candidate will work on a project titled “Accurate prediction of chemical reactions in solution”, with a focus on the development and implement new computational tools to achieve this goal. This knowledge will be exploited to drive testable hypotheses for reaction optimisation and catalyst design, including further development of our existing computational tools (such as autodE
), as well as new approaches that combine chemical knowledge, electronic structure methods, and machine learning techniques to overcome current challenges in the field. The appointee will work in close collaboration with AstraZeneca, applying these methods to predict reactivity and selectivity in late-stage functionalisation processes. They will also benefit from technical support from the Oxford Research Software Engineering (OxRSE) group and training opportunities within the MPLS division
Qualifications
Candidates with a first-class or strong upper second-class undergraduate degree in Chemistry, Physics or a related subject are encouraged to apply. The candidate is expected to have a strong commitment to research, good programming skills (e.g., Python), and the ability to translate chemistry/math concepts to computer programs effectively. The studentship will cover course fees at a Home rate and provide a stipend of no less that the standard UK Research Council rate, currently set at £15,609 per annum, for 3.5 years. The successful applicant will be based in the Physical and Theoretical Chemistry Laboratory.
Candidates should submit a formal application for DPhil in Physical and Theoretical Chemistry
via the Oxford online application system: ****, quoting FDG
/iCASE/2022.
Application deadline: 12.00 noon UK time on Friday 25
th
of March 2022
Queries relating to the application and admission process should be directed to: ****
; ****.
For informal enquiries email ****
(quoting the reference code listed above).
The Department of Chemistry holds the Athena SWAN Silver Award.
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