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Computational Chemistry PhD Projects, Programs & Scholarships in Sheffield

We have 12 Computational Chemistry PhD Projects, Programs & Scholarships in Sheffield

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  Self-organisation as a theory of brain development
  Dr SP Wilson, Dr JV Stone
Applications accepted all year round

Funding Type

PhD Type

Self-organisation is a general theory of how function is assigned to cortical microcircuits. The theory predicts that a balance between cooperative and competitive interactions in local cortical circuits, consolidated by Hebbian learning, results in similar inputs being represented by nearby neurons.
  BBSRC White Rose DTP Studentship - The Conformational Dynamics of Two-Way DNA Junctions: A common first step in aberrant DNA recognition?
  Dr T Craggs, Dr J A Grasby, Dr J Weinstein
Application Deadline: 6 January 2020

Funding Type

PhD Type

Applications are invited for a potential BBSRC funded White Rose Doctoral Training Centre Studentship to study the conformational dynamics of aberrant DNAs.
  New Knowledge and Tools for Topological Characterisation of the CSD Subset of Metal-Organic Frameworks (MOFs)
  Dr PZ Moghadam
Application Deadline: 29 November 2019

Funding Type

PhD Type

We are currently recruiting an outstanding PhD candidate for a fully funded studentship at the Department of Chemical and Biological Engineering at The University of Sheffield in collaboration with the Cambridge Crystallographic Data Centre (CCDC) in Cambridge.
  MRC DiMeN Doctoral Training Partnership: Software, Synthesis and Screening: cheminformatic led invention, design and synthesis of novel compounds for the treatment of septic shock
  Prof JPA Harrity, Dr G Richards, Dr A Hogben, Dr A Pannifer
Application Deadline: 6 January 2020

Funding Type

PhD Type

Industrial and academic medicinal chemists take advantage of modern cheminformatic and biology technologies to inform and guide their science.
  Reactive Inkjet Printing of Functional Swimmers
  Dr X Zhao
Applications accepted all year round

Funding Type

PhD Type

Production of small-scale devices that can autonomously generate thrust via catalytic reactions within fluidic environments has become an increasingly active field and has led to a focus on potential applications including environmental monitoring and remediation, in vivo drug delivery and repair, and lab on a chip diagnostics.
  Computational Astrochemistry/Algorithm development for Quantum Dynamics Calculations
  Prof AJHM Meijer
Applications accepted all year round

Funding Type

PhD Type

Quantum Dynamics calculations are significantly harder than standard electronic structure calculations due to the exponential scaling with respect to basis set size.
  Computational Modelling of Charge-Transfer Interfaces for Perovskite Solar Cells
  Dr N Martsinovich
Applications accepted all year round

Funding Type

PhD Type

Solar cells have the potential to provide us with renewable energy and to help us avoid environmental problems associated with fossil fuels.
  Computational photochemistry/Vibrational control in transition metal complexes
  Prof AJHM Meijer
Applications accepted all year round

Funding Type

PhD Type

Controlling the outcome of chemical reactions is arguably one of the holy grails of chemical physics. Recent experiments1 have shown that it is possible to direct a photophysical process using infrared light, taking a step towards achieving this goal.
  Computational Spectroscopy/Hydrogen-tunneling at elevated temperatures in the gas-phase
  Prof AJHM Meijer
Applications accepted all year round

Funding Type

PhD Type

Hydrogen-tunnelling is key to many reactions involving biomolecules. However, hydrogen tunnelling is not easily detected directly at room temperature.
  Machine learning in quantum chemistry - using machine learning to improve the results of quantum chemical calculations
  Dr JG Hill
Applications accepted all year round

Funding Type

PhD Type

Machine learning methods have seen a great deal of recent success in a number of technological fields, and these techniques from applied statistics and computer science are poised to change the fields of computational and theoretical quantum chemistry.
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