Inorganic Chemistry (computational chemistry) PhD Projects, Programmes & Scholarships

We have 32 Inorganic Chemistry (computational chemistry) PhD Projects, Programmes & Scholarships

(MRC DTP CASE) Prediction of substrate binding geometry and strength in promiscuous enzymes: computational chemistry applicable to the design of pharmaceuticals and agrochemicals

The University of Manchester Faculty of Biology, Medicine and Health

We are often taught about the power of enzymes to select particular substrates from the biological milieu and of their ability to perform highly selective reactions on those substrates. Read more

Supervisors: Dr A Leach, Dr S De Visser, Dr C Trujillo

13 May 2024 PhD Research Project Competition Funded PhD Project (UK Students Only)

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Reaction Monitoring and Structural Characterisation of Coordination Driven Self-Assembled Systems by Ion Mobility-Mass Spectrometry

UNSW Sydney School of Chemistry

Can you envisage a world where building a new catalyst or an artificial enzyme is like following an architectural plan for building a house? This is difficult as we don't even fully understand the construction materials! We research the properties of molecular building-blocks and their "constructed" aggregates, towards drawing up these type of blueprints. Read more

Supervisor: Dr N Rijs

Year round applications PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Combined experimental and computational study of high-pressure order-disorder transitions in soft crystalline materials

University of Edinburgh School of Chemistry

A PhD studentship is available in the group of Dr Claire L. Hobday (School of Chemistry, The University of Edinburgh; [ http://www.chem.ed.ac.uk/staff/academic-staff/dr-claire-hobday ]. Read more

Supervisor: Dr C Hobday

Year round applications PhD Research Project Funded PhD Project (UK Students Only)

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PhD in Chemistry: Enhancing organic room-temperature phosphorescence through supramolecular approaches

Cardiff University Cardiff School of Chemistry

Dr Yi-Lin Wu - People - Cardiff University is looking for a PhD student to work on the research project “Enhancing organic room-temperature phosphorescence through supramolecular approaches.” The project involves the design and synthesis of triplet-forming organic chromophores and the investigation of their photophysical properties induced by supramolecular interactions. Read more

Supervisor: Dr Y Wu

Year round applications PhD Research Project Self-Funded PhD Students Only

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Machine learning algorithms for ab initio-based paramagnetic NMR analysis

University of Bath Department of Chemistry

The University of Bath is inviting applications for the following PhD project under the supervision of Dr Elizaveta Suturina in the Department of Chemistry. Read more

Supervisor: Dr E A Suturina

28 April 2024 PhD Research Project Funded PhD Project (UK Students Only)

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Accurate and Efficient Modelling of X-ray Spectra for the Nuclear Fuel Cycle

The University of Manchester Department of Chemistry

Leading nations are transitioning to renewable energy and reducing carbon emissions with a major focus on increasing resource efficiency and sustainability. Read more

Supervisors: Dr M Oakley, Dr M Baker

26 April 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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PhD in Chemistry: Computational design of new heterogeneous catalysts to support net zero: conversion of CO2 to methanol

Cardiff University Cardiff School of Chemistry

Computational design of new heterogeneous catalysts to support net zero. conversion of CO2 to methanol . PhD Supervisor. Dr. Read more

Supervisor: Dr A Logsdail

Year round applications PhD Research Project Self-Funded PhD Students Only

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Rational design of photo/electrocatalysts towards Green Nitrogen Fixation and Ammonia Production

The University of Manchester Department of Chemical Engineering

In an era marked by the urgent need for sustainable solutions, this project stands at the forefront of innovation in catalysis, focusing on the rational design of photo/electrocatalysts for nitrogen fixation and ammonia production. Read more

Supervisors: Dr S Xu, Prof C Hardacre

Year round applications PhD Research Project Funded PhD Project (Students Worldwide)

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New methods for modelling radionuclide binding proteins

The University of Manchester Department of Chemistry

The management of radioactively contaminated land and water is a multi-billion pound, 100+ year grand challenge that requires innovation to minimise costs. Read more

Supervisors: Prof S Hay, Dr L Natrajan

Year round applications PhD Research Project Competition Funded PhD Project (UK Students Only)

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PhD position in synthetic inorganic/organometallic chemistry: New reactivity from unusual molecular main group compounds

University of St Andrews School of Chemistry

The chemistry of the main group elements has seen some remarkable advances in the past years. Read more

Supervisor: Dr A Stasch

Year round applications PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Computational Modelling of Organometallic Reactivity and Catalysis

University of St Andrews School of Chemistry

A PhD position is available in the group of Prof. Stuart Macgregor to work on the computational modelling of organometallic reactivity and catalysis. Read more

Supervisor: Prof S Macgregor

26 April 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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A 4-year PhD studentship on “ Understanding The Property-structure Relationship Through Combined XANES/DFT Structure Simulation”

University College London Department of Chemistry

Supervisors. Prof Gopinathan Sankar (UCL), Prof Furio Cora (UCL) and Huw Marchbank (Johnson Matthey PLC). A 4 year PhD studentship is available in the Department of Chemistry, University College London, which will commence in September 2024. . Read more

Supervisor: Prof G Sankar

3 May 2024 PhD Research Project Funded PhD Project (European/UK Students Only)

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PhD in Chemistry: Structural effects in alternating biodegradable polymers

Cardiff University Cardiff School of Chemistry

Dr Alison Paul Dr Alison Paul - People - Cardiff University is looking for a PhD student to join the Soft Matter Research Group for a project on “Structural effects in alternating biodegradable polymers”. Read more

Supervisor: Dr A Paul

Year round applications PhD Research Project Self-Funded PhD Students Only

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

University of Bristol School of Chemistry

Our PhD programme combines world-leading research in Chemical Synthesis with state-of-the-art training in technology and automation to prepare you for a career in modern synthetic chemistry, whether in industry or academic research. Read more

Funded PhD Programme (Students Worldwide) EPSRC Centre for Doctoral Training

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PhD in Chemistry: Asymmetric catalysis using environmentally benign calcium complexes

Cardiff University Cardiff School of Chemistry

Dr Ben Ward http://www.cardiff.ac.uk/people/view/38527-ward-benjamin is looking for a PhD student to work on the research project ’Asymmetric catalysis using environmentally benign calcium complexes’. Read more

Supervisor: Dr B Ward

Year round applications PhD Research Project Self-Funded PhD Students Only

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We have 32 Inorganic Chemistry (computational chemistry) PhD Projects, Programmes & Scholarships

Inorganic Chemistry (computational chemistry) PhD Projects, Programmes & Scholarships

We have 32 Inorganic Chemistry (computational chemistry) PhD Projects, Programmes & Scholarships

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