• Carlos III Health Institute Featured PhD Programmes
  • University of Leeds Featured PhD Programmes
  • University of Bristol Featured PhD Programmes
  • University of Mannheim Featured PhD Programmes
  • University of Cambridge Featured PhD Programmes
  • University of Glasgow Featured PhD Programmes
  • London School of Economics and Political Science Featured PhD Programmes
  • University of Leeds Featured PhD Programmes
Wellcome Trust Featured PhD Programmes
University of Sheffield Featured PhD Programmes
Newcastle University Featured PhD Programmes
University of Warwick Featured PhD Programmes
University of Bristol Featured PhD Programmes

Computational modeling of photo-phenomena in condensed phase

This project is no longer listed in the FindAPhD
database and may not be available.

Click here to search the FindAPhD database
for PhD studentship opportunities
  • Full or part time
    Dr Crespo-Otero
  • Application Deadline
    Applications accepted all year round
  • Self-Funded PhD Students Only
    Self-Funded PhD Students Only

Project Description

One Ph.D. studentship in computational chemistry is available to start in October 2015 at Queen Mary, University of London (QMUL), under the supervision of Dr. Rachel Crespo-Otero.
Queen Mary is one of the UK’s leading research-focused higher education institutions, member of the Russell group. Queen Mary is committed to the highest quality research. Based on a creative and culturally diverse area of east London, Queen Mary provides a completely integrated residential campus.

Research:
The project will focus on the study of photo-phenomena in condensed phase with particular interest in photo-catalytic reactions of relevance in biological systems and photoactive materials. This project will require the use of state of the art methods as well as the development and implementation of new techniques to study photochemical reactions in solid and liquid phases. Of particular interest is the implementation of methods to perform non-adiabatic dynamics simulations in solid state. These methods will be implemented in the Newton-X platform (http://www.newtonx.org/) and in-house codes.
More information about the research in our group can be found in:
https://crespootero.wordpress.com/

Techniques and training:
The successful student will be trained in a wide range of electronic structure methods for ground and excited states and scientific computing. In addition to acquire transferable skills such as report writing, oral communication of results, project planning and organisation. All postgraduate researchers are part of the QMUL Doctoral College, which provides further high quality training in key skills such as critical thinking, teamwork and entrepreneurship.

Eligibility: We are looking for highly motivated students with a strong background in computational chemistry, physics and/or materials science. Previous experience in code development is highly desirable but not a prerequisite.

Potential candidates should contact Dr. Rachel Crespo-Otero ([email protected]) including a CV, a statement of purpose and the contact details of two academic references.


Funding Notes


Self-funded students only

References

1.) Barbatti, M.; Crespo-Otero, R.; Surface hopping with DFT excited states. Density-functional methods for excited states, edited by Ferré, N.; Filatov, M.; Huix-Rotllant, M. Top. Curr. Chem. In Press, Springer, 2015. (DOI: 10.1007/128_2014_605).
2.) Crespo-Otero, R.*, Mardykov, A., Sanchez-Garcia, E., Sander, W, Barbatti, M., Phys. Chem. Chem. Phys. 2014, 16, 18877.
3.) Crespo-Otero, R.; Mardyukov, A.; Sanchez-Garcia, E.; Barbatti, M.; Sander, W., ChemPhysChem 2013, 14, 827

How good is research at Queen Mary University of London in Chemistry?

FTE Category A staff submitted: 14.00

Research output data provided by the Research Excellence Framework (REF)

Click here to see the results for all UK universities
Share this page:

Cookie Policy    X