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Computational Chemistry (natural) PhD Projects, Programs & Scholarships

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

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  Deep-learning for semantic-based information extraction from natural language
  Research Group: Computing, Informatics and Applications Research Group
  Dr A Fatima, Dr C Luca
Applications accepted all year round

Funding Type

PhD Type

Research Group. Computing, Informatics and Applications Research Group. Proposed supervisory team. Dr Arooj Fatima ([email protected]).
  Decoding the Language of Nature: It is time for Artificial Intelligence to predict the function of natural products based on structure
  Prof R Quinn, Dr M Liu, Dr CW Wang
Applications accepted all year round

Funding Type

PhD Type

The profound and specific biological activity of natural products coupled with their immediately recognizable structures suggests a code within these structures that we are not as yet aware of.
  Artificial Intelligence and Machine Learning for Natural Sciences
  Prof P Friederich
Applications accepted all year round

Funding Type

PhD Type

The recently founded AIMat group at the Karlsruhe Institute of Technology (KIT) is searching for motivated students with a above-average Masters degree in computer science or (computational) natural sciences.
  Fully-funded PhD positions in several natural sciences & engineering disciplines

Funding Type

PhD Type

Join an internationally renowned scientific community with the Hector FellowPhD program. PhD students benefit not only from the experience of the program, but also from the network of Hector Fellows.
  Inhibiting amyloid development using natural compounds: a molecular dynamics study
  Dr P Mulheran, Dr V A Ferro
Applications accepted all year round

Funding Type

PhD Type

Amyloid fibrils are highly ordered protein aggregates associated with many neurodegenerative diseases such as Alzheimer’s. Flavanoids, which are polyphenols such as curcumin present in the human diet, have been shown to inhibit fibril formation in tau protein which is abundant in neurons.
  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.
  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.
  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.
  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).
  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.
  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.
  EPSRC Centre for Doctoral Training in Chemical Synthesis (TECS)

Funding Type

PhD Type

Our PhD programme combines world-leading research in chemical synthesis with state-of-the-art training in technology and automation to best prepare you for a career in modern synthetic chemistry.
  Computational design of bio-inspired silica materials for carbon capture
  Dr M Jorge
Applications accepted all year round

Funding Type

PhD Type

Materials that are porous at the nanoscale are used in a wide variety of applications, like gas separation, carbon capture, catalysis and drug delivery.
  Design of functional chitosan films: antimicrobial applications
  Dr P Mulheran, Dr V A Ferro
Applications accepted all year round

Funding Type

PhD Type

Chitosan is a biodegradable polymer obtained from natural, abundant and renewable sources. Chitosan has been the focus of much research into its applications as an antimicrobial.
  System design on co-production of transport fuel and value-added chemicals from waste biomass
  Dr X Zhang
Applications accepted all year round

Funding Type

PhD Type

There is a national and global imperative to reduce reliance upon fossil fuels and, at the same time, to improve the efficiency of natural and renewable resource utilisation.
  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].
  Enhanced Oil Recovery (EOR) from depleted Sandstone and Carbonate/chalk reservoirs
  Dr P Jadhawar, Dr H Hamidi
Applications accepted all year round

Funding Type

PhD Type

Nearly one third of the oil is left behind in the reservoir after the primary and secondary recovery methods of oil recovery.
  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.
  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.
  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.
  Exploiting the Collective Behaviour of Catalytic Colloids to Make Optoelectronic Devices
  Dr S Ebbens
Applications accepted all year round

Funding Type

PhD Type

Catalytic active colloids are able to produce rapid enhanced motion but also possess unusual additional interactions. The interactions can cause colloids to organise into new arrangements that can have interesting optoelectronic properties, which may be used for new technologies.
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