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Computational Chemistry PhD Projects, Programs & Scholarships

We have 172 Computational Chemistry PhD Projects, Programs & Scholarships

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Showing 31 to 60 of 172
  Four Year PhDs in Cancer, Immunology and Biomedicine

Funding Type

PhD Type

The Faculty of Medicine at the University of Southampton has a strong reputation in research, enterprise and education, with an emphasis on translating new discoveries from basic science into clinical innovation.
  PhD positions in Molecular Life Sciences at Max Perutz Labs Vienna

Funding Type

PhD Type

The Max Perutz Labs are situated at the Vienna Biocenter (VBC), a major science hotspot in Europe. Students and scientists benefit from the excellent scientific networks between the research institutes and companies at the VBC.
  Atomic Scale Precision Engineering of Cell-Material Interfaces
  Prof Mibel Aguilar
Application Deadline: 31 March 2020

Funding Type

PhD Type

This project aims to determine the molecular structure of the interface between novel peptide self-assemblies and cell membranes through x-ray diffraction and molecular simulation.
  Interactive eating (HCI, Interaction Design)
  Prof F Mueller
Applications accepted all year round

Funding Type

PhD Type

PhD opening (HCI, Interaction Design). around the body, technology and play in the Exertion Games Lab, Melbourne, Australia. The Exertion Games Lab (exertiongameslab.org) in Melbourne, Australia, is seeking exceptional PhD and Post-Doc candidates to research novel interfaces around digital play.
  PhD Studentship in Biosciences: No ESKAPE: targeting an outer membrane protein complex in pathogenic bacteria to overcome antimicrobial resistance.
  Prof B Van Den Berg, Dr J Hubbard
Application Deadline: 13 May 2020

Funding Type

PhD Type

Number of awards. 1. Start date and duration. 28 September 2020. The funding covers a three year PhD. Overview.
  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.
  PhD Studentship: Advancing the Analysis of Spectroscopy using Machine Learning
  Dr T Penfold
Application Deadline: 3 April 2020

Funding Type

PhD Type

Number of awards. 1. Start date and duration. October 2020 for 3.5 years. Overview. The emergence of X-ray free electron lasers (X-FELs) has made it possible to follow chemical dynamics with structural resolution.
  BioVision: bio-inspired computer vision using deep architectures (Advert Reference: SF19/EE/CIS/BELATRECHE)
  Dr A Belatreche, Dr F Khelifi
Applications accepted all year round

Funding Type

PhD Type

The primate visual system outperforms the existing automated vision systems in almost all measures.
  Development of novel refrigerants with low global warming potential (Advert Reference: SF19/EE/MCE/VICENTE)
  Dr YS Vicente, Prof K Mahkamov
Applications accepted all year round

Funding Type

PhD Type

In 2016, a global environmental agreement was introduced to phase out the production and consumption of hydrofluorocarbon refrigerants with global warming potential (GWP) by years 2036 to 2047, starting in 2019.
  Computational Enzyme Design for the Development of Biotechnology to Create a new generation of living buildings (Ref: ET20/HLS/APP/SINGH)
  Dr W Singh
Application Deadline: 8 May 2020

Funding Type

PhD Type

This PhD project will involve the following topics. Plastic breakdown. Computational enzyme design to suggest mutants which may improve the catalytic efficiency of PETase and MHETase for polyethylene terephthalate hydrolysis.
  PhD in Computational Chemistry: Understanding the effect of aggregation in light-emitting organic crystals
  Dr R Crespo-Otero, Dr D Di Tommaso
Application Deadline: 31 May 2020

Funding Type

PhD Type

A PhD position is available to start in September 2020 at Queen Mary University of London (QMUL) in the Crespo-Otero group (https://crespootero.wordpress.com), to work on the project “Understanding the effect of aggregation in light-emitting organic crystals”.
  The contradictory functions of carotenoid-based light-harvesters: Understanding energy harvesting and dissipation in the Fucoxanthin-Chlorophyll Protein (FCP)
  Dr C Duffy
Applications accepted all year round

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).
  UKRI Centre for Doctoral Training in Artificial Intelligence and Music (AIM)

Funding Type

PhD Type

Fully-funded PhD studentships to start September 2020. Call open to applicants ordinarily resident in the UK since September 2017.
  Computer Simulations of G protein-coupled Receptors
  Dr I Tikhonova
Applications accepted all year round

Funding Type

PhD Type

Many physiological processes are controlled through the activation of G protein-coupled receptors (GPCRs) by regulatory peptides, making peptide GPCRs particularly useful targets for major human diseases such as diabetes and CNS diseases.
  Enhancing Adoption of 3D Printing in Medical Technology Industry through Data Driven Decision Making
  Dr S Tavassoli, Assoc Prof B Abbasi
Applications accepted all year round

Funding Type

PhD Type

The project investigates the adoption of disruptive technologies by focusing on the case of 3D Printing (3DP) in the Medical Technology (MedTech) industry.
  Reversing the Decline of Innovation in Australian Manufacturing and Services
  Dr S Tavassoli, Prof AL Mention
Applications accepted all year round

Funding Type

PhD Type

The aim of the project is to investigate the pattern of Australian firms’ innovation, in terms of technological (product and process) as well as non-technological (marketing and organisational) innovations.
  Hydrodynamic Characterisation of Hydraulic Capsule Pipelines
  Dr T Asim, Dr M Hossain
Application Deadline: 15 April 2020

Funding Type

PhD Type

Robert Gordon University, through the School of Engineering is offering a PhD studentship with tuition fees funded for Home/EU or International applicants.
  PhD scholarship in atomic scale simulations of the oxygen reduction reaction at the solid-liquid interface
  Assoc Prof H. A. Hansen
Application Deadline: 14 April 2020

Funding Type

PhD Type

The Section for Atomic Scale Materials Modelling at DTU Energy, Technical University of Denmark (DTU), invites applications for a PhD scholarship on atomic scale simulations of the oxygen reduction reaction at the solid-liquid interface in fuel cell cathodes.
  PhD position in Computational Sciences
  Prof C Alexandrou
Applications accepted all year round

Funding Type

PhD Type

PhD, with possibility of financial aiding at The Cyprus Institute (CyI). Supervisors. Prof. C. Alexandrou (CyI) [email protected]
  Multi-Scale Modelling of Composite Materials
  Research Group: Imaging and Characterisation
  Dr P Carbone, Prof W J Parnell
Application Deadline: 31 July 2020

Funding Type

PhD Type

A fully funded PhD position in multiscale modelling of polymer composites is available in the group of Dr Carbone and Prof Parnell at the University of Manchester.
  iCASE: Formulation Behaviour at Complex Liquid-Solid Interfaces
  Research Group: Multiscale Modelling
  Dr F Siperstein, Dr A Patti
Application Deadline: 28 June 2020

Funding Type

PhD Type

A fully-funded iCASE PhD position in Formulation Behaviour at Complex Liquid-Solid Interfaces is available in the Multiscale Modelling Group at the University of Manchester, working with Dr Flor Siperstein and Dr Alessandro Patti, in collaboration with Dr Breanndán Ó Conchúir from IBM Research UK.
  Molecular modelling insights into the performance of polymeric coatings containing active corrosion inhibitors
  Research Group: Multiscale Modelling
  Dr F Siperstein, Prof X Zhou, Dr C Avendano
Application Deadline: 22 July 2020

Funding Type

PhD Type

Sustainable Coatings by Rational Design (SusCoRD) is a multi-disciplinary project which aims to, for the first time, connect a detailed scientific understanding of the mechanisms of coatings failure with state-of-the-art-machine learning to deliver a framework for the optimisation of protective coatings and nanocomposite materials.
  Coupled flow-geomechanics for prediction of propagation and collapse of wormholes in matrix acidizing
  Dr M Babaei
Applications accepted all year round

Funding Type

PhD Type

Acidizing is an established technique to stimulate enhanced hydrocarbon recovery from carbonate reservoirs.
  Numerical modelling and design of geothermal heat recovery from subsurface systems
  Dr M Babaei
Applications accepted all year round

Funding Type

PhD Type

In the geothermal energy technology, this is a common practice to drill a doublet (i.e. an injection and production well pair) system.
  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.
  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.
  Establishing NMR chemical shifts as reliable reporters of atomic charge distributions in enzymes
  Prof J Waltho, Prof P Popelier
Applications accepted all year round

Funding Type

PhD Type

Enzymes are not only central to life but also to the growing need to harness elements of the natural world to the benefit of mankind.
  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.
  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.
  Formal Semantics of the Perfect Language
  Dr R Banach
Applications accepted all year round

Funding Type

PhD Type

Perfect Developer, from Escher Technologies, is a language system that combines specification constructs, programming constructs, code generation and verification.
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