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We have 161 Computational Chemistry PhD Projects, Programmes & Scholarships for Self-funded Students in the UK
Computational Chemistry PhD Projects, Programmes & Scholarships for Self-funded Students in the UK
We have 161 Computational Chemistry PhD Projects, Programmes & Scholarships for Self-funded Students in the UK
An investigation into the mechanistic interactions between sustainable fragrances and proteins employing in silico and in situ methods
This is a BBSRC funded Industry CASE Studentship between University of Liverpool Department of Chemistry and Unilever. Fragrance oils are widely used across the household care industry. Read more
Durham Doctoral Teaching Fellow: Designing DNA Manipulators for Programmable Modification of Artificial Proteins
Proteins can act as superbly effective nanoscale machines as exemplified by the incredible range of enzyme structures and activities. Read more
Innovative Biopolymer Electrolytes with Enhanced Sodium-Ion Conductivity for Sustainable Battery Solutions (ReNU+24/EE/MCE/XING)
The EPSRC Centre for Doctoral Training (CDT) in Renewable Energy Northeast Universities Plus (ReNU+) is a collaborative doctoral training programme run by the Universities of Northumbria, Newcastle and Durham. Read more
Integrated computational and biochemical investigation of EGFR-mediated cell signaling
This PhD project is focused on understanding the mechanisms of epidermal growth factor receptor (EGFR) signaling and its role in cellular processes such as proliferation, differentiation, and survival. Read more
PhD in Chemistry: Studies in heterogeneous catalysts
The Max Planck Centre for fundamental studies on heterogeneous catalyst was established in 2019 and has two themes operating on experimental heterogeneous catalysis; namely catalyst design and acetylene chemistry. Read more
PhD in Chemistry: Electron Microscopy of New Catalysts for Acetylene Chemistry
This PhD project will apply world-leading electron microscopy techniques to the study of new catalysts for acetylene-based chemistry. Read more
PhD in Chemistry: New catalysts for acetylene processes enabling a sustainable future
Chemical industry produces tens of thousands of chemical intermediates and products that are essential components of polymers, pharmaceuticals, agrochemicals, fragrances, paints, and more, elevating the overall quality and length of human life across the globe. Read more
Last chance to apply
EASTBIO Towards Sustainable Plastics via Microbes
EASTBIO Towards Sustainable Plastics via Microbes. Sustainable approaches to plastic generation, and technologies to enable plastic degradation are critical to our planet. Read more
Computational Astrochemistry/Algorithm development for Quantum Dynamics Calculations
Quantum Dynamics calculations are significantly harder than standard electronic structure calculations due to the exponential scaling with respect to basis set size. Read more
Computational Spectroscopy/Hydrogen-tunneling at elevated temperatures in the gas-phase
Hydrogen-tunnelling is key to many reactions involving biomolecules. However, hydrogen tunnelling is not easily detected directly at room temperature. Read more
Computational Astrochemistry/Formation of Complex Organic Molecules in the ISM
H2 is the most abundant molecule in interstellar space and it plays an important role in the formation of stars and in interstellar chemistry through reactions with ions and radicals. Read more
Computational photochemistry/Vibrational control in transition metal complexes
Controlling the outcome of chemical reactions is arguably one of the holy grails of chemical physics. Experiments, done at Sheffield1,2,3 have shown that it is possible to direct a photophysical process using infrared light, taking a step towards achieving this goal. Read more
Computational modelling of two-dimensional graphene-based materials
Graphene is a novel material with outstanding electronic and mechanical properties. Chemical modification of graphene gives rise to new materials, such as graphene oxide and reduced graphene oxide, with properties very distinct from graphene and with possible applications in photocatalysis and batteries. Read more
Computational modelling of chemical interactions in soil
This project will use atomic-scale computational modelling to understand chemical processes in soil. Soils contain large amounts of organic matter (also called “soil organic carbon”). Read more
Development of new Gaussian basis sets for the lanthanides
Molecules containing lanthanide elements are currently of strong interest due to their use in fields such as catalysis, magnets, imaging, battery technologies and ultra-cold chemistry. Read more