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Latest Computational Chemistry PhD Projects, Programmes & Scholarships

We have 39 Latest Computational Chemistry PhD Projects, Programmes & Scholarships

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I am a UK student


We have 39 Latest Computational Chemistry PhD Projects, Programmes & Scholarships

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Computational chemical design for the creation of novel ionic liquid materials

A computational PhD position is available as part of a 3-year collaborative project 'Unravelling the electronic structure of highly charged hydrogen-bonds; rational chemical design and the creation of novel ionic liquid materials.'. Read more

Ammonia Electrochemical synthesis for CO2-free energy applications

Ammonia Electrochemical synthesis for CO2-free energy applications.  The development of low-cost, high-performance energy storage and conversion devices are critical for an environmentally sustainable future free of CO2 emissions. Read more

Mechanistic Investigations in Homogeneous Catalysis

The production of important fine chemicals, such as pharmaceuticals, relies on the use of homogeneous catalysis. Many key transformations are performed with organometallic, molecular, transition metal complexes. Read more

Examining isotope effects in ion–molecule reactions

Reactions between ions and neutral molecules are known to be important in low-temperature environments such as the outer atmosphere and the interstellar medium. Read more

(EPSRC DTG) Metal-Organic Frameworks for Clean Air: A comprehensive EPR study

Ammonia (NH. 3. ) and nitrogen dioxide (NO. 2. ) are harmful air pollutants due to their highly corrosive and toxic nature. One strategy to mitigate air pollution is to use porous materials that are capable to adsorb and further convert these atmospheric pollutants into useful chemicals for industry. Read more

Computational polymer mechanochemistry

The group’s core expertise is in polymer mechanochemistry (. https://pcwww.liv.ac.uk/~boulatov/en),. an emerging area of science at the interface of chemistry, physics and engineering. Read more

Non-equilibrium Electrode Materials for Lithium-ion Batteries

Non-equilibrium Electrode Materials for Lithium-ion Batteries. Background. This PhD studentship is an exciting opportunity to work in a growing battery research team at Lancaster University, an active member of Faraday Institution. Read more

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