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School of Physical and Chemical Sciences
  1. School of Physical and Chemical Sciences
  2. PhD/Research
  3. China Scholarship Council Project
  4. Computational Catalyst Design for Value-Added Molecule Conversion

Computational Catalyst Design for Value-Added Molecule Conversion

Research Group: Chemistry
Number of Students: 1
Length of Study in Years: 4 Years
Full-time Project: yes

Funding

Funding is provided via the China Scholarship Council.  

  • Available to Chinese applicants only.
  • Applicant required to start in September 2025.
  • The studentship arrangement will cover overseas tuition fees for the duration of the studentship.

Project Description

Current projects involve both quantum chemistry and machine learning methods, with active collaborations with leading computational and experimental researchers in the UK (UCL, Warwick, Leeds), Europe (Bologna, Trieste, Utrecht), China (Huazhong University of Science and Technology, Hebei University of Technology), South Korea (Seoul National University), and Japan (Tohoku). Dr. Di Tommaso's projects are multi-disciplinary, potentially combining computational and experimental techniques to explore the fundamental aspects of converting small molecules, such as carbon dioxide (CO2) and nitrogen (N2), into value-added chemicals through electrochemical and mineralization processes. The computational techniques used in Dr. Di Tommaso’s lab include quantum chemistry, molecular dynamics, free energy methods, machine learning, and scientific programming. Consequently, the PhD project will offer training in a wide range of contemporary computational material chemistry techniques, equipping successful applicants with a highly desirable portfolio of scientific and transferable skills.

Local research environment: Dr Devis Di Tommaso, a Reader in Computational Chemistry and Co-Director of the London-based Thomas Young Centre for the Theory and Simulation of Materials, offers several promising PhD projects within the Department of Chemistry. Ranked 9th in the UK for research outputs in the 2021 Research Excellence Framework, the Department of Chemistry provides a stimulating environment for doctoral research. Dr. Di Tommaso's research group is a friendly, international, and highly productive team dedicated to computational explorations of catalysts for transforming small molecules like CO2 and N2 into valuable products.

Requirements

Entry/Experience requirements: Applications are invited from outstanding candidates of Chinese nationality holding or expecting to gain a degree in Chemistry, Physics, Materials Science, or Engineering with an interest in computational, physical chemistry, or materials research.

Contact details for any queries: Contact Dr Di Tommaso by email (d.ditommaso@qmul.ac.uk), along with a full CV and the contact details of at least two referees.

Application Method:

To apply for this studentship and for entry on to the Chemistry programme (Full Time) please follow the instructions detailed on the following webpage:

https://www.qmul.ac.uk/spcs/phdresearch/application-process/#apply

Deadline for application - 29th of January 2025

Supervisor Contact Details:

For informal enquiries about this position, please contact Devis Di Tommaso

E-mail: d.ditommaso@qmul.ac.uk

  • The minimum requirement for this studentship opportunity is a good Honours degree (minimum 2(i) honours or equivalent) and MSc/MRes in a relevant discipline (minimum 2(i) honours or equivalent).
  • You will require a valid English certificate equivalent to IELTS 6.5+ overall with a minimum score of 6.0 in all other categories.

SPCS Academics: Dr Devis Di Tommaso

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