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Latest Computational Chemistry PhD Projects, Programmes & Scholarships
We have 39 Latest Computational Chemistry PhD Projects, Programmes & Scholarships
We have 39 Latest Computational Chemistry PhD Projects, Programmes & Scholarships
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Developing next generation sunscreens by learning from nature
About the project. Due to the potentially damaging effects of ultraviolet radiation (UVR) exposure to humans, solar protection is required. Read more
Computational Exploration of Novel Fluoride-Ion Battery Materials
The University of Bath is inviting applications for the following funded PhD project commencing in October 2023. Lead Academic Supervisor. Read more
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
Revealing the first stages of atmospheric nucleation using broadband rotational spectroscopy
One of the major challenges of our lifetime is climate change. Aerosols play a vital role in our climate by partially counteracting the warming caused by greenhouse gases. Read more
Enhancing Electrolysis with External Fields
Electrolysis is a promising option for carbon free-production of hydrogen. The process uses electricity to split water (H. 2. 0) molecules into Hydrogen and Oxygen gas. 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
PhD in Chemistry: Development of Ptychographic Electron Tomography to Determine the Structure of CO2 Hydrogenation Catalysts
This is an exciting collaborative project between the Cardiff Catalysis Institute and the UK’s national synchrotron (Diamond Light Source). Read more
Harnessing reactive radical intermediates to design new and more sustainable catalysts
Project overview. Film-electrochemical electron paramagnetic resonance spectroscopy (FE-EPR) is a transformative new experimental technique developed in the. 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
Redox-active salts for sustainable energy storage technologies
Background. The climate crisis requires us to transform the way that we generate, store and use energy. Two aspects of energy storage are of interest to this project. Read more