molecular dynamics PhD Projects, Programmes & Scholarships

We have 131 molecular dynamics PhD Projects, Programmes & Scholarships

Using molecular dynamics simulations to understand the effect of lipid membrane composition on its permeability

Kingston University Faculty of Health, Science, Social Care and Education

The permeability of a lipid membrane, such as a cell membrane, relates to the ease with which a chemical entity, such as a drug molecule, can cross the membrane. Read more

Supervisor: Dr G Shearman

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

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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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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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Discovery of novel antibiotics through synthesis of lab-based (biochem/microbio) and computational microbiology (molecular dynamics/deep generative learning/AI)

University of Portsmouth School of Pharmacy and Biomedical Sciences

As stated by the World Health Organisation (WHO), antimicrobial resistance (AMR) is one of the greatest public health threats facing humanity. Read more

Supervisor: Dr R Draheim

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

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Advanced computational modelling of nanobubble cavitation dynamics

University of Edinburgh School of Engineering

Rapid changes in pressure, such as in high-frequency ultrasound, can stimulate bubbles to nucleate, oscillate, and collapse violently, in a phenomenon known as cavitation. Read more

Supervisor: Dr DD Dockar

15 May 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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From Text to Tech: Shaping the Future of Physics-Based Simulations with AI-Driven Generative Models

University of Birmingham Department of Civil Engineering

In the contemporary industry, multiphysics and molecular dynamics simulations are not just tools - they are the catalysts for breakthrough innovations. Read more

Supervisors: Dr B Ghiassi, Dr A Alexiadis

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

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PhD Studentship in Molecular Simulations of Food Biotribology

Imperial College London Department of Mechanical Engineering

Applications are invited for a research studentship in the field of Molecular Simulations of Food Biotribology, leading to the award of a PhD degree. The post is supported by a bursary and fees (at the UK student rate) provided by the Mechanical Engineering Department, and it is open to ‘home’ students. Read more

Supervisor: Dr J Ewen

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

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Numerical Algorithms for Molecular Systems and Data Science

University of Birmingham School of Mathematics

Details: . Stochastic differential equations (SDEs) are widely used in science and engineering in order to model systems where random effects play a significant role. Read more

Supervisor: Dr X Shang

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

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Virology: Unique Antiviral Therapy targeting Zika and Related Viruses

University of Leeds Faculty of Medicine and Health

Zika Virus (ZIKV) has emerged as a new mosquito-borne threat to public health after the devastating South American outbreak. Read more

Supervisors: Dr S Griffin, Dr A Kalli, Dr C McKimmie

Year round applications PhD Research Project Self-Funded PhD 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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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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Polarised neutron spectroscopy for energy applications

Royal Holloway, University of London Department of Physics

Neutron spectroscopy can provide deep insight into the physics underpinning technologies necessary for the transition to net-zero. Read more

Supervisors: Prof J Goff, Dr D Voneshen

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

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Phase relations in planetary ices from atomistic and free energy calculations

University of Edinburgh School of Physics and Astronomy

A PhD studentship is available in the group of Professor Andreas Hermann, School of Physics and Astronomy, The University of Edinburgh. Read more

Supervisor: Prof A Hermann

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

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Molecular Simulations and Data-driven Modelling for Polymer Nanocomposite Membranes

University of Edinburgh School of Engineering

The urgent need to mitigate climate change has led to increased focus on sustainable energy solutions. This includes the development of mixed matrix membranes (MMMs) for gas separation in net-zero applications. Read more

Supervisor: Dr ER Ricci

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

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We have 131 molecular dynamics PhD Projects, Programmes & Scholarships

molecular dynamics PhD Projects, Programmes & Scholarships

We have 131 molecular dynamics PhD Projects, Programmes & Scholarships

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