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School of Biological and Chemical Sciences

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Computational modeling of photo-phenomena in condensed phase

Background

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 and in-house codes.

More information can be found on our research group website.

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.

For more information about School and College training visit our student support page.

Eligibility

Funding through CONACYT

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.

Applicant requirements are listed on the CONACYT foreign scholarship pages.

International students must provide evidence of proficient English language skills, see our entry requirements page for further information.

Funding through Ciência sem Fronteiras

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.

Applicants must be Brazilian nationals and are required to have at least an upper second class degree and a masters degree in either computational chemistry, physics and/or materials science from a top university anywhere in the world.

International students must provide evidence of proficient English language skills, see our entry requirements page for further information.

Self-funding

If you are interested in self-funding please contact Dr Rachel Crespo-Otero by email (r.crespo-otero@qmul.ac.uk) to discuss your eligibility for this project.

 

Application process

Funding through China Scholarship Council

Applications for 2015 entry have now closed. To express your interest in this project for 2016 please contact the project supervisor Dr Rachel Crespo-Otero by email (r.crespo-otero@qmul.ac.uk)

  1. Potential candidates should contact Dr Rachel Crespo-Otero by email (r.crespo-otero@qmul.ac.uk) to express their interest in applying.
  2. If she is interested in taking your application further you will be asked to submit a CV and a statement of purpose. Following this you will be asked to submit an application through the Queen Mary online application form.
  3. If you are successful we will give you an offer on the condition that you are given a funding award from the China Scholarship Council.
  4. When you have received a conditional offer, apply directly to the China Scholarship Council.

Funding through CONACYT

  1. Potential candidates should contact Dr Rachel Crespo-Otero by email (r.crespo-otero@qmul.ac.uk) and submit their CV and a statement of purpose explaining their eligibility and interest in this project.
  2. Applications to Queen Mary are accepted all year round but we encourage you to contact Dr Rachel Crespo-Otero as soon as possible. If she agrees to take your application further you will be required to submit an online application.
  3. If you are successful we will give you an offer on the condition that you are given a funding award from CONACYT.
  4. When you have received a conditional offer from us, you should apply directly to CONACYT.

Funding through Ciência sem Fronteiras

  1. Potential candidates should contact Dr Rachel Crespo-Otero by email (r.crespo-otero@qmul.ac.uk) and submit their CV and a statement of purpose explaining their eligibility and interest in this project.
  2. Applications to Queen Mary and Science without BorCiência sem Fronteiras are accepted all year round but we encourage you to contact Dr Rachel Crespo-Otero as soon as possible.
  3. If you are successful we will give you an offer on the condition that you are given a funding award from Ciência sem Fronteiras.
  4. When you have received a conditional offer, apply directly to Ciência sem Fronteiras.

Publications:

  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
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