Chemical Engineering (molecular simulation) PhD Projects, Programmes & Scholarships

We have 15 Chemical Engineering (molecular simulation) PhD Projects, Programmes & Scholarships

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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Predicting drug solubility in different solvents using molecular simulation and machine learning

University of Strathclyde Department of Chemical and Process Engineering

Predicting the solubility of complex drug-like molecules is crucial at several stages of the drug discovery and manufacture. In particular, solvent selection has been highlighted as a crucial step in process design and optimisation [1]. Read more

Supervisors: Dr M Jorge, Prof C Price

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

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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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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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Enabling CO2 Capture and Storage Using AI

Heriot-Watt University School of Engineering & Physical Sciences

Carbon Capture and Storage (CCS) is one of the viable solutions that can effectively reduce CO. 2. emissions from hard to decarbonise industries (e.g., steel, cement, power generation). Read more

Supervisors: Prof PT Cummings, Prof C McGabe

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

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Computational Screening of Supercapacitors

Heriot-Watt University School of Engineering & Physical Sciences

In order to be self-sufficient with relatively constant energy output, renewable energy sources, such as solar and wind, require that energy be stored during periods of high energy production so that it can be available during periods of low or zero energy production. Read more

Supervisor: Prof PT Cummings

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

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Molecular Modelling and Simulation for Solid Adsorbents for Industrial Carbon Capture

University of Sheffield Department of Chemical & Biological Engineering

Carbon capture and storage (CCS) is viewed as a key technology to reduce anthropogenic CO2 emissions worldwide. In addition to solvent based carbon… Read more

Supervisor: Prof M 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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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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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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Understanding shale rock swelling for energy systems: novel integrated modelling and experimental approaches

The University of Manchester Department of Chemistry

A fully funded PhD position is available in the group of Professor Carbone (Department of Chemistry) and Professor Taylor (Department of Earth Science) at the University of Manchester starting from September 2024. Read more

Supervisors: Dr P Carbone, Prof K Taylor

31 May 2024 PhD Research Project Funded PhD Project (UK 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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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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Waste-to-protein recovery through protein separation and purification

King’s College London School of Natural & Mathematical Sciences

The plant-sourced and animal-sourced proteins are resource-demand and carbon-intensive. This combined with increasing protein demands highlight the complex challenge on providing protein security. Read more

Supervisors: Dr M Guo, Prof C Lorenz

1 May 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Metamaterials for catalysis

The University of Manchester Department of Electronic and Electrical Engineering

A meta-atom is an engineered sub-wavelength structure that, when periodically arranged like an atomic lattice, enable optical, electronic, thermal, and chemical functionalities not seen in conventional designs. Read more

Supervisor: Dr J Loh

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

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We have 15 Chemical Engineering (molecular simulation) PhD Projects, Programmes & Scholarships

Chemical Engineering (molecular simulation) PhD Projects, Programmes & Scholarships

We have 15 Chemical Engineering (molecular simulation) PhD Projects, Programmes & Scholarships

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