Atomistic Simulation, Ph.D.

  • N/A
    Application Deadline
  • 36 months
  • Tuition
    Tuition (Year)
    Tuition (Year)
  • English (take IELTS)
University rank #201 ,
The Atomistic Simulation Centre (ASC) at Queen's develops and uses a range of theoretical and computational methods to study the structure and dynamics of molecules, liquids, solids and plasmas at the atomic scale. 


Atomistic simulation is needed to interpret experimental data and to predict new phenomena. It can reach computationally where pen and paper alone cannot.Computational ‘experiments' provide a way forward where real experiments are not yet possible, eg under extreme conditions, or at size- and time-scales where one cannot yet ‘look' directly.

In the ASC we study problems at the interfaces between condensed matter physics, materials science, chemistry, biology, and engineering. We are motivated by experimental science. Many of our projects are driven and informed by direct interaction with laboratory-based colleagues at Queen's and internationally. We address fundamental physical questions and use computer simulation to gain additional deeper understanding. Sometimes we are able to predict phenomena experimentally yet unobserved.

We maintain a high international profile in our research strategy and dissemination.


  • Strong interdisciplinary drawing on all branches of science and engineering.
  • Depending upon your chosen line of research you will need to acquaint yourself with areas like many-body theory, Solid State Physics, computer simulation, Materials Science, Chemistry and Biology.
  • We operate our own computer clusters and use national and European supercomputers.
  • A friendly team of academic staff, research fellows and PhD students. ASC runs a lively programme of invited seminars, with opportunities to meet and talk to experts from all areas above.


Queen's postgraduates reap exceptional benefits. Unique initiatives, such as Degree Plus and Researcher Plus bolster our commitment to employability, while innovative leadership and executive programmes alongside sterling integration with business experts helps our students gain key leadership positions both nationally and internationally.

Detailed Programme Facts

  • Deadline and start date Application deadline and start date were not specified by the programme.
  • Full-time duration 36 months
  • Study intensity Part-time, Full-time
  • Languages
    • English
  • Delivery mode
    On Campus

Programme Structure


We tackle complex problems with tools ranging from many-body theory and ab initio electronic structure to classical force fields, frequently combined with simulation tools like non-adiabatic molecular dynamics and Monte Carlo. One of our main interests is processes that involve energy exchange between electronic and nuclear motion. Recently, such efforts led to the prediction that current flow in ultra-thin wires can drive rotation of special atoms, producing a nanoscale motor.

Other themes of interest in the ASC are the ultra-fast dynamics and spectroscopic properties of molecules and materials in intense laser fields, and the irradiation of systems ranging from DNA to nuclear materials. Integrated approaches that exploit theoretical understanding to rationally design processes and functional materials, with the potential to generate disruptive technologies.

English Language Requirements

You need the following IELTS score:

  • Minimum required score: 6

    The IELTS – or the International English Language Test System – tests your English-language abilities (writing, listening, speaking, and reading) on a scale of 1.00–9.00. The minimum IELTS score requirement refers to which Overall Band Score you received, which is your combined average score. Read more about IELTS.

    Take IELTS test

    StudyPortals Tip: The UK government has confirmed new English-language testing requirements for visa and immigration purposes. Learn more

Academic Requirements


A research degree offers you the opportunity to develop your research skills and prove yourself as a researcher. Queen's is committed to the enhancement of research training and teaching and offers postgraduate research opportunities across all fields of study. The following postgraduate research study routes for this subject area are:

  • Doctor of Philosophy (PhD) 
  • Master of Philosophy (MPhil)


The minimum academic requirement for admission to a research degree programme is normally an Upper Second Class Honours degree from a UK or ROI HE provider, or an equivalent qualification acceptable to the University. Further information can be obtained by contacting the School.

Tuition Fee Per Year

  • GBP 15200 International
  • GBP 4195 EU/EEA


StudyPortals Tip: Students can search online for independent or external scholarships that can help fund their studies. Check the scholarships to see whether you are eligible to apply. Many scholarships are either merit-based or needs-based.