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Computational Chemistry (group theory) PhD Projects, Programs & Scholarships

We have 19 Computational Chemistry (group theory) PhD Projects, Programs & Scholarships

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  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.
  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].
  Machine-learning design of novel magnets
  Prof S Sanvito
Applications accepted all year round

Funding Type

PhD Type

A PhD position is available from September 2019 in the School of Physics and the CRANN Institute (www.crann.tcd.ie) at Trinity College Dublin (Ireland).
  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).
  Computational design of metal-organic framework photocatalysts for solar fuel synthesis
  Dr R Grau-Crespo
Applications accepted all year round

Funding Type

PhD Type

"Metal-organic frameworks (MOFs) are porous crystalline materials consisting of metal atoms or clusters connected by organic linkers.
  Predicting the effects of molecular motions on NMR by MD modelling: Application to pharmaceutical solids (OGANESYANVU20SCIEP)
  Dr V Oganesyan, Prof Y Khimyak
Application Deadline: 30 January 2020

Funding Type

PhD Type

NMR spectroscopy has become an essential structural tool for studying the patterns of self-assembly of molecular pharmaceutical solids.
  Thermally superconducting and superinsulating nanofluids and their use in nanodevices
  Dr M N Campbell-Bannerman, Dr J Derksen
Applications accepted all year round

Funding Type

PhD Type

Nanotechnology is the forefront of a new industrial revolution. As the scale of new devices shrink, the design bottle-neck becomes getting rid of waste heat.
  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 design of metal-carbonaceous catalysts for the CO2 transformation into added-value chemicals
  Dr D Di Tommaso, Dr R Crespo-Otero
Application Deadline: 31 January 2020

Funding Type

PhD Type

The School of Biological and Chemical Sciences at Queen Mary is one of the UK’s elite research centres, according to the 2014 Research Excellence Framework (REF).
  Designing nanomachines using computer simulations and artificial intelligence
  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, computer science, and biology.
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