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Computational Chemistry (complex systems) PhD Projects, Programs & Scholarships

We have 21 Computational Chemistry (complex systems) PhD Projects, Programs & Scholarships

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  Antimatter Chemistry: reactive scattering collisions of antihydrogen atoms with hydrogen molecules
  Dr M Law, Dr W T A Harrison
Applications accepted all year round

Funding Type

PhD Type

Recently interest in antimatter research has increased as facilities such as CERN have succeeded in trapping antimatter atoms to study their properties [1].
  Quantum simulation of complex quantum processes on superconducting qubits
  Dr J Joo, Dr A Goussev, Dr A Burbanks
Application Deadline: 23 February 2020

Funding Type

PhD Type

Applications are invited for a three year PhD to commence in October 2020. The PhD will be based in the Faculty of Technology, and will be supervised by Dr Jaewoo Joo, Dr Arseni Goussev and Dr Andrew Burbanks.
  Novel ways to model complex flows
  Research Group: Multiscale Modelling
  Prof A Masters
Applications accepted all year round

Funding Type

PhD Type

While the equations governing the flow of Newtonian liquids like water or petrol are well-understood and excellent numerical methods exist to make accurate predictions of how such liquids will behave, the situation regarding complex fluids, such as blood, paint, shampoos, etc, is considerably less well understood.
  Physics behind the evolution of cell remodelling
  Dr A Saric
Applications accepted all year round

Funding Type

PhD Type

Complex eukaryotic cells first appeared on earth over a billion years ago. Such cells are built out of physical compartments separated from each other by membrane boundaries.
  Real-Time System Management for Asynchronous Hardware
  Research Group: Sustainable Electronic Technologies
  Prof A Brown
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Prof Andrew Brown. Co-supervisor. Dr Mark Vousden, Dr Graeme Bragg. Project description.
  Physics of cutting and reshaping of cell membranes
  Dr A Saric
Applications accepted all year round

Funding Type

PhD Type

We are looking for highly motivated students to join our interdisciplinary team for an exciting project at the interface of physics, biology, and chemistry.
  Coarse-grained molecular dynamics and self-assembly of reacting proteins and chromatin
  Research Group: Institute of Cell Biology
  Prof A Goryachev
Application Deadline: 5 January 2020

Funding Type

PhD Type

A project in computational modelling of reactive Brownian dynamics of DNA and proteins inside biological cells is available in the group of Prof.
  (A*STAR) A multiscale approach to modelling the structure and dynamics of large enzymes
  Dr S Hay, Prof N Scrutton, Dr L Johannissen
Application Deadline: 31 January 2020

Funding Type

PhD Type

Much of biochemistry relies on atomic resolution structural information, most commonly determined using X-ray crystallography. However, due to their dynamic nature, it is often not possible to determine the structure of large multi-domain proteins.
  Molecular Modeling for Design of Biochar Materials
  Dr V Erastova
Application Deadline: 9 January 2020

Funding Type

PhD Type

The project brings molecular modeling into biochar research, providing atomistic details to the key properties of biochar, and through this enabling the informed design and optimization of biochar for desirable functionality.
  Pattern Formation (Applied Nonlinear Dynamics)
  Prof A M Rucklidge
Applications accepted all year round

Funding Type

PhD Type

Regular patterns, such as stripes, squares and hexagons, are ubiquitous in nature, and their formation and stability are governed by the intricate and complex interactions of symmetry and nonlinearity.
  Simulations of rheological properties of lubricants under operational conditions
  Prof C K Skylaris
Application Deadline: 26 February 2020

Funding Type

PhD Type

Supervisor. Chris-Kriton Skylaris. Co-supervisor Denis Kramer. Project description.
  NEUROSCAPE - a Virtual Reality Artificial Environment for simulated neural development studies
  Research Group: Sustainable Electronic Technologies
  Prof A Brown
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Prof Andrew Brown. Co-supervisor Dr Graeme Bragg, Professor John Chad. Project description.
  Classical Force Fields to Model Solid-State Molecular Organometallic Chemistry
  Prof S A Macgregor
Application Deadline: 28 February 2020

Funding Type

PhD Type

This project is in computational chemistry and will involve the development of new molecular mechanics force fields to model solid-state molecular organometallic chemistry (SMOM-Chem).
  Computational Materials Design
  Prof W Wenzel
Applications accepted all year round

Funding Type

PhD Type

We are seeking a Ph.D. student for the development of multiscale simulation methods to work in the recently funded excellence cluster at KIT.
  Modelling photosynthetic water oxidation
  Dr P O'Malley
Applications accepted all year round

Funding Type

PhD Type

This project aims use molecular modelling methods and spectroscopy to understand how the protein environment of electron transfer cofactors in photosysnthesis and in particular how the water oxidising complex, facilitates electron transfer and also helps stabilise these radical species to maintain a charge separated state.
  Computation and Confirmation Experiments on Solvated Hydrogen Bonding Complexes
  Research Group: Chemistry and Biosciences
  Dr T Swift, Dr C Seaton
Applications accepted all year round

Funding Type

PhD Type

The creation of complexes between polymeric compounds drives many industrial / biological processes and has been extensively studied in well-defined biological compounds with uniform structures.
  Teaching a machine to move atoms
  Research Group: Molecular and Nanoscale Phsyics
  Dr A Sweetman
Applications accepted all year round

Funding Type

PhD Type

It is now routine in world leading laboratories to perform experiments where single atoms can be placed with atomic precision. These experiments are performed using scanning probe microscopes, and allow us to study the electrical and chemical properties of matter with sub-molecular, and even “sub-atomic” precision.
  Protein ghost recognition using deep learning
  Research Group: Sustainable Electronic Technologies
  Prof A Brown
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Prof Andrew Brown. Project description. POETS (Partially Ordered Event Triggered Systems) technology is based on the idea of an extremely large number (millions) of small processing cores, embedded in a fast, bespoke, hardware, parallel communications infrastructure – the core mesh.
  Fully funded PhD studentship in Computational Chemistry
  Dr D Palmer
Applications accepted all year round

Funding Type

PhD Type

A fully funded, three year PhD Studentship is available in the Department of Pure and Applied Chemistry at the University of Strathclyde under the supervision of Dr David Palmer (Strathclyde).
  It’s all in the Structure: Transforming drug design by bringing together molecular simulations and machine learning
  Dr G.C. Sosso
Application Deadline: 31 January 2020

Funding Type

PhD Type

The solubility of pharmaceutical drugs determines to what extent they can be absorbed. Machine learning algorithms can predict the solubility of novel drugs without the need of actually synthetizing them - thus saving substantial time and money.
  Predicting long-term materials ageing using reaction discovery and machine learning
  Dr S Habershon
Application Deadline: 31 January 2020

Funding Type

PhD Type

Predicting the long-term (decades or more) stability of organic polymeric materials under ambient environmental photothermal conditions is a unique challenge because experimental testing on such time-scales is often impossible or too expensive.
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