Chemistry (computational) PhD Projects, Programmes & Scholarships

We have 146 Chemistry (computational) 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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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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Computational simulation of nanomedicine for coronary microvascular disease

Coventry University Centre for Intelligent Healthcare

This is a four year collaborative studentship which requires the candidate to spend two full years based at Coventry University (UK) and two years based at A*STAR Research Institute (Singapore). Read more

Supervisor: Dr H Liu

25 April 2024 PhD Research Project 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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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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(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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MScR - Computational modelling to investigate the role of membrane microdomains in cell signalling

University of Bristol School of Physiology, Pharmacology & Neuroscience

The dynamic organization of the plasma membrane into specialized cholesterol-rich microdomains plays a crucial role in cellular signalling and the regulation of various biological processes. Read more

Supervisor: Dr RC Corey

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

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Computational modelling of melting plastic particle flows: fundamental physics, reactor design and topology optimisations

University of Birmingham EPSRC Centre for Doctoral Training

Industrial Partner. Aquapak. Industrial Supervisor. Cloudia Mejie, Aquapak. Duration of the PhD. 4 years. Project Description. Read more

Supervisors: Dr M Jangi, Dr C Windows-Yule

30 April 2024 PhD Research Project Funded PhD Project (European/UK Students Only)

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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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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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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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Molecular networks rethought

Max Planck Institute for Chemical Ecology International Max Planck Research School

Background. Mass spectrometry (MS) is the analytical platforms of choice for high-throughput screening of small molecules. Molecular networks have found widespread application in untargeted metabolomics, natural products research and related areas. Read more

Supervisors: Prof S Böcker, Prof G. Pohnert

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

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Computational modelling of the human blood-brain barrier to tackle multidrug resistance and neurodegenerative disorders (molecular dynamics/deep generative learning/AI)

University of Portsmouth School of Pharmacy and Biomedical Sciences

By 2050 the number of people living with neurodegenerative disorders are set to double. Alzheimer’s disease in particular is set to become a public health emergency. Read more

Supervisor: Prof C Jorgensen

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

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Computational exploration of substrates and interfaces for thin film solar cells

University of Liverpool Department of Chemistry

To address the challenge of net-zero carbon a diverse energy generation landscape is required of which photovoltaics (PV) is a major constituent. Read more

Supervisors: Dr M Dyer, Dr T Manning

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

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We have 146 Chemistry (computational) PhD Projects, Programmes & Scholarships

Chemistry (computational) PhD Projects, Programmes & Scholarships

We have 146 Chemistry (computational) PhD Projects, Programmes & Scholarships

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