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We have 4 Computational Chemistry (mathematical physics) PhD Projects, Programmes & Scholarships

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Computational Chemistry (mathematical physics) PhD Projects, Programmes & Scholarships

We have 4 Computational Chemistry (mathematical physics) PhD Projects, Programmes & Scholarships

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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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Mathematical Machine Learning for Molecular Modeling

University of Birmingham School of Mathematics
Project description. This PhD project aims to develop Machine Learning methods for Molecular Modeling with a particular focus on aspects relevant to dynamics preserving coarse-graining strategies. Read more
 Supervisor: Dr M Sachs
 Year round applications  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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Modelling and Computation for Radiation Chemistry at Interfaces

The University of Manchester Department of Mathematics
This project is an interdisciplinary collaboration between Mathematics and Chemistry. Real-world applications include safe radioactive wate disposal, plutonium stewardship and radiation based cancer care. Read more
 Supervisors: Dr M Webb, Prof F Currell
 Year round applications  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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High-throughput first-principle simulations of charge transport in organic semiconductors

University of Liverpool Department of Mathematical Sciences
This project focuses on application of first-principle, fully quantum simulation methods such as Hybrid Monte-Carlo to study charge transport in a vast class of quasi-2D molecular organic semiconductors (rubrene, pentacene, and >4000 other materials). Read more
 Supervisors: Dr P Buividovich, Prof A Troisi
 30 June 2024  PhD Research Project  Funded PhD Project (Students Worldwide)
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