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Computational Chemistry (computational physics) PhD Projects, Programs & Scholarships

We have 54 Computational Chemistry (computational physics) PhD Projects, Programs & Scholarships

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Showing 31 to 54 of 54
  Crystal structure prediction based NMR crystallography
  Dr G Day
Applications accepted all year round

Funding Type

PhD Type

Project description. A fully funded 4 year PhD studentship is available in computational materials chemistry at the University of Southampton.
  Quantum simulations for the catalysts of the future
  Prof C K Skylaris
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Chris-Kriton Skylaris (90%). Co-supervisor Peter Wells (10%). Project description. Catalysis in a multibillion dollar industry, at the core of many modern environmentally friendly technologies such as fuel cells, car catalysts and production of commodity chemicals under environmentally benign conditions.
  Nanoscale Materials for Energy Harvesting
  Research Group: Quantum, Light & Matter
  Dr M Newton
Application Deadline: 31 March 2020

Funding Type

PhD Type

Supervisor. Dr. Marcus Newton. Project description. The development of portable energy harvesting power sources as an alternative to batteries is an attractive prospect that will permit a new class of renewable energy devices that can operate indefinitely.
  Exploring complexity and scalability of Near-term Quantum Computing algorithms for Quantum Chemistry
  Prof J Tennyson
Applications accepted all year round

Funding Type

PhD Type

The study of molecular systems is heavily limited by current computing capabilities. As molecular systems grow in complexity exponentially, accurate computation of chemical properties becomes challenging even for small systems.
  Process models for Portland cement manufacturing
  Dr M N Campbell-Bannerman, Dr P Kechagiopoulos
Applications accepted all year round

Funding Type

PhD Type

Cement is the most ubiquitous product after drinking water, with 4.1B tons produced in 2017 alone, enough for half a ton per person per year worldwide.
  PhD Opportunities in Fusion. Training the next generation of fusion scientists….

Funding Type

PhD Type

Training the next generation of fusion scientists…. Fusion has the potential to meet our energy needs in a sustainable way, with minimum impact on the environment.
  Tailored multifunctional aerospace coating developments using bottom-up in silico techniques
  Dr S Hay, Dr J Blaker
Applications accepted all year round

Funding Type

PhD Type

There are pressing requirements across aerospace vehicles to develop unified coating systems, tailored to deliver a range of targeted multi-functional properties (e.g.
  PhD Opportunities in Fusion. Training the next generation of fusion scientists….

Funding Type

PhD Type

Training the next generation of fusion scientists…. Fusion has the potential to meet our energy needs in a sustainable way, with minimum impact on the environment.
  PhD Opportunities in Fusion. Training the next generation of fusion scientists….

Funding Type

PhD Type

Training the next generation of fusion scientists…. Fusion has the potential to meet our energy needs in a sustainable way, with minimum impact on the environment.
  PhD Opportunities in Fusion. Training the next generation of fusion scientists….

Funding Type

PhD Type

Training the next generation of fusion scientists…. Fusion has the potential to meet our energy needs in a sustainable way, with minimum impact on the environment.
  PhD Opportunities in Fusion. Training the next generation of fusion scientists….

Funding Type

PhD Type

Training the next generation of fusion scientists…. Fusion has the potential to meet our energy needs in a sustainable way, with minimum impact on the environment.
  A step change in the modelling of enzymatic catalysis
  Prof P Popelier, Dr L Johannissen
Applications accepted all year round

Funding Type

PhD Type

A deep understanding of enzymatic processes requires an atomic-level description, which is often beyond experimental techniques but achievable through synergy with computational chemistry.
  Atomistic Modelling Studies of New Materials for Lithium Batteries
  Prof M S Islam
Application Deadline: 26 April 2020

Funding Type

PhD Type

The University of Bath is inviting applications for a PhD opportunity in the Department of Chemistry under the supervision of Prof Saiful Islam.
  Minimal Peptide Scaffolds for Modelling and Catalysis
  Dr N Mitchell, Dr A Croft
Applications accepted all year round

Funding Type

PhD Type

Iron-sulfur clusters are ubiquitous cofactors in nature; present in a variety of metalloproteins, these clusters mediate a broad variety of essential biological processes, including electron transfer, reaction catalysis (hydrogenase, nitrogenase, etc.), oxygen-sensing and the regulation of gene expression.
  EPSRC CDT in Science and Applications of Graphene and Related Nanomaterials (Graphene NOWANO)

Funding Type

PhD Type

Established in 2013 with EPSRC funding and now supported by the University of Manchester and industry, Graphene NOWNANO CDT offers PhD training in science, technology and applications of the fast-growing family of two-dimensional materials.
  Atomistic Modelling : guiding pathways to 25% efficient CdTe doped solar cells
  Prof R Smith, Dr P Goddard
Application Deadline: 31 August 2020

Funding Type

PhD Type

Thin film cadmium telluride (CdTe) is the most important thin film photovoltaic technology with annual module production now approaching 8 GW.
  NUAcT PhD Studentship in Energy Materials – Atomistic Modelling of Ion Transport and Interfaces in Solid Electrolytes for Solid-State Batteries
  Dr J Dawson
Application Deadline: 1 May 2020

Funding Type

PhD Type

Number of awards. 1. Start date and duration. October 2020 for 3 years. Application closing date. 1 May 2020. Overview. The quest for improved energy storage is currently one of the most important scientific challenges.
  EPSRC CDT in Science and Applications of Graphene and Related Nanomaterials (Graphene NOWANO)

Funding Type

PhD Type

Established in 2013 with EPSRC funding and now supported by the University of Manchester and industry, Graphene NOWNANO CDT offers PhD training in science, technology and applications of the fast-growing family of two-dimensional materials.
  Advanced Mathematical Optimisation in Materials Chemistry
  Dr M Dyer, Dr V Gusev
Application Deadline: 30 April 2020

Funding Type

PhD Type

Project. The global optimisation of properties such as energy as a function of atomic positions is prevalent in materials chemistry.
  Developing a multiscale description of complex fluids from the molecular to the continuum scales
  Dr L Lue, Dr D Kivotides
Applications accepted all year round

Funding Type

PhD Type

Engineers have traditionally used continuum equations to model processes, such as the Navier-Stokes equation for fluid flow. These methods require constitutive relations that encode the properties of the fluid; these are typically determined empirically and have limited predictive capabilities.
  PhD Candidate in Chemistry, Sydney Australia
  Dr N Rijs
Applications accepted all year round

Funding Type

PhD Type

One PhD scholarship ($27,596.00 per year, 3.5 years duration) is available for the ARC funded project “Deconstructing molecular self-assembly by advanced mass spectrometry” with research leader Dr.
  Theoretical PhD position in interactions of free-electron pulses with molecules at UCL
  Dr A Emmanouilidou
Application Deadline: 30 March 2020

Funding Type

PhD Type

The Attosecond and Free-Electron-Laser Science Theory Group at UCL, http://www.homepages.ucl.ac.uk/~ucapaem/index.html, is currently advertising a 3.5 year PhD position in the field of interaction of molecules with free-electron lasers.
  Accurate energy evaluation of receptor-ligand interaction
  Prof P Popelier, Dr S De Visser
Applications accepted all year round

Funding Type

PhD Type

Drug design routinely uses existing computational methods to evaluate the interaction energy between receptor (protein) and ligand (drug) in molecular docking.
  A 3-year PhD studentship in deep-learning assisted design of active hyperuniform materials
  Dr G Volpe
Application Deadline: 20 July 2020

Funding Type

PhD Type

This position is fully funded by the UCL-A*STAR Collaborative Programme via the Centre for Doctoral Training in Molecular Modelling and Materials Science (M3S CDT) at UCL.
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