molecular dynamics PhD Projects, Programmes & Scholarships

We have 131 molecular dynamics PhD Projects, Programmes & Scholarships

Elucidating molecular transport mechanisms through atomistic simulations

University of Edinburgh School of Engineering

Membrane-based processes for water treatment, such as reverse osmosis (RO), hold promise in tackling water scarcity locally and globally. Read more

Supervisors: Dr S Romero-Vargas Castrillon, Dr R Pillai

6 December 2024 PhD Research Project Self-Funded PhD 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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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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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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Structural basis of two-component system signaling

Max Planck Institute for Chemical Ecology International Max Planck Research School

Background: . As bacteria explore new habitats, go to war with competitors or collaborate against common enemies, they rely heavily on intra- and interspecies communication and precise molecular scouting of their environment. Read more

Supervisors: Prof UH Hellmich, Prof S.E.O. O'Connor

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

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Machine learning the dynamics of force-sensing proteins

King’s College London School of Natural & Mathematical Sciences

Mechanosensing proteins detect mechanical forces within cells and convert them into biochemical signals. Understanding the dynamic behaviour of these proteins under force is key for advancing our understanding of this process called mechanotransduction. Read more

Supervisors: Dr SB Bo, Dr RTR Tapia-Rojo, Prof C Lorenz

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

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Designing surfaces to control nucleation in pharmaceutical crystallisation

University of Strathclyde Department of Chemical and Process Engineering

Crystallisation is widely used for purification of chemicals and pharmaceuticals and for making advanced materials for catalysis, separations and sensing applications. Read more

Supervisors: Dr K Johnston, Prof J Sefcik

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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Organic coatings microstructure: insights from molecular simulations

The University of Manchester Department of Chemical Engineering

Watching paint dry can be fascinating. Painting a room can make it aesthetically pleasing, but paints can do much more than just please the eyes. Read more

Supervisor: Dr F Siperstein

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

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Structure-based design of allosteric modulators for G protein-coupled receptors using molecular modelling and pharmacology experiments

Queen’s University Belfast School of Pharmacy

Almost all physiological processes are regulated through the activation of G protein-coupled receptors (GPCRs). It has become widely accepted that most GPCRs possess binding sites spatially distinct from their natural ligand binding site (orthosteric site), termed as allosteric sites. Read more

Supervisors: Dr I Tikhonova, Dr B Plouffe

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

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Barocaloric organic ionic plastic crystals and prototype development

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 ) in collaboration with Sunamp, UK (https://sunamp.com/#home/ ). Read more

Supervisor: Dr C Hobday

21 April 2024 PhD Research Project Competition 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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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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Finite temperature superfluid turbulence flow-structure interactions via immersed boundary methods

University of Strathclyde Department of Chemical and Process Engineering

This is a multidisciplinary research project that combines the quantum physics of superfluid turbulence flows with advanced computational fluid dynamics for flow-structure interactions. Read more

Supervisor: Dr D Kivotides

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

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