Computational Chemistry (dynamics) PhD Projects, Programmes & Scholarships

We have 41 Computational Chemistry (dynamics) PhD Projects, Programmes & Scholarships

Filming photosynthesis: using molecular dynamics simulations and fluorescence experiments to assess the dynamics of light harvesting proteins

University of Leeds Faculty of Engineering and Physical Sciences

The plant protein Light-Harvesting Complex II (LHCII) allows efficient absorption of solar energy and is essential for photosynthesis. Read more

Supervisors: Dr P.G. Adams, Dr A Kalli

28 June 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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PhD Studentship in Understanding non-equilibrium dynamics using Quantum dynamics

Newcastle University School of Natural and Environmental Sciences

Award summary . 100% of home fees covered, and a minimum tax-free annual living allowance of £19,237 (2024/25 UKRI rate). . Read more

Supervisor: Prof T J Penfold

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

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Development of NMR Methods for the Study of Dynamics in Solids

University of Liverpool Department of Chemistry

One fully funded PhD studentship is available in the area of nuclear magnetic resonance (NMR) of solids. The position is available for 42-months starting in October 2024. Read more

Supervisor: Prof F Blanc

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

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Understanding Nonlinear Dynamics of Associative Polymers for Healthcare and Sustainable Applications: Computer Simulations and Mathematical Modelling

University of Reading Department of Mathematics and Statistics

Introduction. Associative polymers are macromolecules containing associative groups, also called stickers, that undergo reversible association to physically cross link the polymers into transient networks. Read more

Supervisors: Dr Z Wang, Dr A Lukyanov

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

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Direct numerical simulation of polymeric-fluid flows

University of Strathclyde Department of Chemical and Process Engineering

Polymers and turbulence are two of the most difficult problems in statistical physics. In the past, the study of polymeric liquids was divided in two categories. Read more

Supervisors: Dr D Kivotides, Dr P Grassia

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

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CDT-QTE: Quantum Spin Dynamics and How to Make it Faster

University of Southampton Faculty of Engineering and Physical Sciences

Supervisory Team: Prof Ilya Kuprov, Dr Marina Carravetta. Project description: This project is part of the EPSRC Centre for Doctoral Training in Quantum Technology Engineering at the University of Southampton. Read more

Supervisor: Dr I Kuprov

31 August 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Understanding structure and dynamics at complex liquid-solid interfaces

Durham University Department of Chemistry

A basic aim in chemistry is to understand and control the structure of materials at the atomic scale. We now have many tools at our disposal to characterise and manipulate atomic structure under "clean" conditions e.g., under vacuum. Read more

Supervisors: Dr MA Miller, Dr S Cox

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

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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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PhD Studentship in the atomistic dynamics of mechanochemical reactivity

University of Birmingham School of Chemistry

Applications are sought for a fully funded 3.5-year PhD position in the group of Dr Adam Michalchuk in the School of Chemistry at the University of Birmingham to start Oct. Read more

Supervisor: Dr A Michalchuk

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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Liquid hydrogen fuelling process simulation – paving the way for digital twinning hydrogen safety

Aberdeen University School of Engineering

The quest for sustainable energy solutions has increasingly spotlighted hydrogen as a key player in transitioning to a greener future. Read more

Supervisors: Dr H Tan, Dr Y Zhang, Mr O Quake, Dr Y Sevcenco

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

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Simulating Dynamic Battery Interfaces: In Search of Next Generation Lithium Batteries

University of Liverpool School of Engineering

Improving battery technologies is essential to power the next generation of electric vehicles, and for future energy storage systems that will facilitate the transition to net-zero. Read more

Supervisors: Dr AF Finney, Prof LH Hardwick

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

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Soft & Crystalline Composite Materials: Developing Total Scattering Workflows for the Interrogation of Structure.

University of Birmingham School of Chemistry

An exciting interdisciplinary project for an enthusiastic student to develop a broad range of expertise, combining the experimental and computationally-based characterisation of advanced composite materials. Read more

Supervisor: Dr T Easun

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

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Design and study of modified peptide foldamers

Aberdeen University School of Natural and Computing Sciences

These projects are open to students worldwide, but have no funding attached. Therefore, the successful applicant will be expected to fund tuition fees at the relevant level (home or international) and any applicable additional research costs. Read more

Supervisors: Dr L Trembleau, Dr H Deng

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

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Using Natural Language Processing and molecular simulations to build polymer databases

The University of Manchester Department of Chemistry

A fully funded PhD position in multiscale modelling of polymer composites is available in the group of Professor Carbone at the University of Manchester from October 2024. Read more

Supervisor: Dr P Carbone

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

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We have 41 Computational Chemistry (dynamics) PhD Projects, Programmes & Scholarships

Computational Chemistry (dynamics) PhD Projects, Programmes & Scholarships

We have 41 Computational Chemistry (dynamics) PhD Projects, Programmes & Scholarships

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