FindA University Ltd Featured PhD Programmes
Cardiff University Featured PhD Programmes
FindA University Ltd Featured PhD Programmes

Computational Chemistry PhD Projects, Programs & Scholarships

We have 89 Computational Chemistry PhD Projects, Programs & Scholarships

Discipline

Discipline

Maths & Computing

Location

Location

All locations

Institution

Institution

All Institutions

PhD Type

PhD Type

All PhD Types

Funding

Funding

All Funding


We have 89 Computational Chemistry PhD Projects, Programs & Scholarships

Materials design and machine learning applied to heterogeneous catalysis

Materials design and machine learning applied to heterogeneous catalysis. PhD Supervisor. Dr. Andrew J. Logsdail http://www.cardiff.ac.uk/people/view/481607-logsdail-andrew. Read more

Molecular simulation of adsorbents for air separation

Efficient production of oxygen from air is key in many technologies. In this project we aim to explore the potential of novel adsorbents for air separation where different regeneration approaches are considered. Read more

Exploring chemical space for computational materials discovery

Supervisory Team.    Prof. Graeme Day. Project description. A fully funded PhD studentship is available in the area of computational materials discovery, as part of a prestigious international Synergy grant. Read more

Machine learning methods in crystal structure prediction

Supervisory Team.    Prof. Graeme Day. This project will develop computational methods to guide the discovery of new materials, combining state-of-the-art computational methods for crystal structure prediction (CSP) with machine learning approaches for interpreting the predicted crystal structure landscapes. Read more

EPSRC Centre for Doctoral Training in Nuclear Energy Futures

Applications are invited for four-year fully-funded PhD studentships starting in October 2019 at either Imperial College London, University of Cambridge, University of Bristol, The Open University or Bangor University. Read more

Computation and Confirmation Experiments on Solvated Hydrogen Bonding Complexes

  Research Group: Chemistry and Biosciences
The creation of complexes between polymeric compounds drives many industrial / biological processes and has been extensively studied in well-defined biological compounds with uniform structures. Read more

Rational Control of Crystal Morphology

  Research Group: Chemistry and Biosciences
The external shape of crystalline particles (called morphology) is of paramount importance in a wide range of applications, in particular pharmaceuticals and pigments. Read more

A step change in the modelling of enzymatic catalysis

A deep understanding of enzymatic processes requires an atomic-level description, which is often beyond experimental techniques but achievable through synergy with computational chemistry. Read more

EPSRC Centre for Doctoral Training in Technology Enhanced Chemical Synthesis (TECS)

Our PhD programme combines world-leading research in chemical synthesis with state-of-the-art training in technology and automation to best prepare you for a career in modern synthetic chemistry. Read more

Filtering Results