Chemistry (computational science) PhD Projects, Programmes & Scholarships

We have 79 Chemistry (computational science) PhD Projects, Programmes & Scholarships

PhD in Quantum Simulations for Electronic Structure Calculations in Molecules and Materials

University College London Faculty of Mathematical and Physical Sciences

Do you have a passion for computational chemistry and are eager to employ quantum computing methods to study complex chemical systems?. Read more

Supervisors: Prof P Coveney, Prof A Hoekstra

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

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EPSRC Centre for Doctoral Training in Aerosol Science

University of Bristol EPSRC Centre for Doctoral Training in Aerosol Science

Fully-funded 4-year PhD studentships are available as part of the EPSRC Centre for Doctoral training in Aerosol Science. Read more

Funded PhD Programme (European/UK Students Only) EPSRC Centre for Doctoral Training

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Fully Funded PhD Program Opportunity

Okinawa Institute of Science and Technology Graduate University

The Okinawa Institute of Science and Technology Graduate University (OIST), accredited in 2011 as a graduate university, is located in the beautiful subtropical island of Okinawa, Japan. Read more

Funded PhD Programme (Students Worldwide) International PhD Programme

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Functional Materials Discovery Using Artificial Intelligence

University of Strathclyde Department of Chemistry

A fully funded PhD studentship (3 years) in computational chemistry (materials discovery) is open at the University of Strathclyde commencing October 2024. . Read more

Supervisor: Dr T Nematiaram

31 May 2024 PhD Research Project Funded PhD Project (UK Students Only)

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Expanding the capabilities of the Molecular Simulation Design Framework (MoSDeF)

Heriot-Watt University School of Engineering & Physical Sciences

The Molecular Simulation Design Framework (MoSDeF, mosdef.org) is an open-source, extensible Python-based software package designed to facilitate the hierarchical… Read more

Supervisors: Prof PT Cummings, Prof C McGabe

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

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Bottom-Up Construction of a Synthetic Gap Junction

King’s College London School of Natural & Mathematical Sciences

Gap junctions play a crucial role in cellular communication, facilitating direct intercellular exchange of ions and small molecules. Read more

Supervisors: Prof M Wallace, Prof C Lorenz, Dr J Burrone

10 May 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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AI-directed discovery of self-assembled peptide-peptoid acoustics materials

University of Strathclyde Department of Pure and Applied Chemistry

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Supervisors: Dr K.H.A Lau, Prof T Tuttle

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

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Machine learning analysis of large-scale crystal structure prediction

University of Southampton Chemistry

Supervisory Team: Prof. Graeme Day. Project description. A fully funded 3.5-year PhD studentship is available in the area of computational materials discovery, as part of a prestigious international Synergy grant funded by the European Research Council. Read more

Supervisor: Prof G Day

31 August 2024 PhD Research Project Competition Funded PhD Project (UK Students Only)

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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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Machine Learning and Molecular Modelling in Mass Spectrometry

University of Leeds Faculty of Biological Sciences

This PhD project will harness the power of computational modelling and machine learning (A.I.) to analyse data obtained by mass spectrometry experiments and predict structural characteristics of biomolecules and their interactions. Read more

Supervisors: Prof F. Sobott, Dr A Kalli, Dr H Wang

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

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Synthesis of Novel Organic Probes for the Study of Lipid-Lipid Interactions

King’s College London School of Natural & Mathematical Sciences

Lipids are diverse and principal components of the cell and are involved in a vast array of processes ranging from their well-known structural importance in cell membranes, through to energy storage and participation in signalling pathways. Read more

Supervisors: Dr A Cobb, Prof U Eggert, Dr ES Silva

10 May 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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In Silico targeting of unstructured extracellular histones: En route to a new horizon of drug discovery to target disordered proteins) – second call for applications

Maastricht University Cardiovascular Research Institute Maastricht (CARIM)

Applications can only be submitted via our website. The specific position for Doctoral Candidate 6 (DC6) in the consortium, which is part of Work Package 2 (WP2), aims. Read more

Supervisor: Dr G Nicolaes

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

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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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Experimental discovery of new Inorganic Materials for Net Zero Technologies

University of Liverpool Institute of Life Course and Medical Sciences

The experimental discovery of new inorganic materials shows us how crystal structure and chemical composition control physical and chemical properties. Read more

Supervisors: Prof M J Rosseinsky, Dr LD Daniels, Dr J Claridge

31 July 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Funded PhD studentship in XFEL Science at Imperial College London

Imperial College London Department of Life Sciences

A fully funded 4-year PhD position is available in the group of Professor Jasper van Thor at Imperial College London. The PhD is supported by the STFC UK Hub for the physical sciences on XFELs (HPSX) and Imperial College. Read more

Supervisors: Prof J Van Thor, Prof J Marangos

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

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We have 79 Chemistry (computational science) PhD Projects, Programmes & Scholarships

Chemistry (computational science) PhD Projects, Programmes & Scholarships

We have 79 Chemistry (computational science) PhD Projects, Programmes & Scholarships

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