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Computational Chemistry PhD Projects, Programmes & Scholarships
We have 122 Computational Chemistry PhD Projects, Programmes & Scholarships
We have 122 Computational Chemistry PhD Projects, Programmes & Scholarships
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Development of a mobile urban cement plant
One issue for reusing construction/demolition waste (CDW) in cement clinker manufacture is establishing the supply chains and the associated transportation costs from urban areas to cement plants. Read more
Discovery of high-temperature superconductors using Deep Learning
High temperature superconductivity has great promise to transform society through the transmission of electricity with zero resistance, though the underlying physics is complex and difficult to predict from first principles, and the space of possible materials is large and equally complex. Read more
Discovery of solid state electrolytes using Deep Learning
In the quest towards safer and higher capacity batteries to enable electrification and a net zero society, the development of an all-solid-state battery is a top priority, and is currently limited by the lack of a high-performance material to serve as a solid state electrolyte. Read more
Development of molecular simulation model for heterogeneous RNA and RNA-protein structures.
In recent years, it has become clear that RNA molecules play active roles in a variety of cell regulatory processes. In addition, RNA molecules have a great potential for therapeutic applications, as evidenced by the success of COVID-19 mRNA vaccines. Read more
Artificial metalloenzymes for catalysing new-to-nature reactions
In the Rhys lab we design and engineer peptides and proteins for new applications. For this project we are looking for a PhD student who is interested in developing new enzymes to catalyse reactions that are not known to occur in nature. 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 2022. Lead Academic Supervisor. Read more
PhD in Computing Science and Chemistry - Chemputation and Chemputability: Reasoning about autonomous chemical synthesis
Applicants are invited for a fully funded PhD studentship (UK fees + stipend at Research Council rates) in an interdisciplinary project between the Schools of Computing Science and Chemistry at the University of Glasgow. Read more
Microtubule nanomechanics and turnover under cell-like physical constraints
Max Planck Institute for Multidisciplinary Sciences
Department of Theoretical and Computational Biophysics
The Max Planck Institute for Multidisciplinary Sciences is a leading international research institute of exceptional scientific breadth. Read more
PhD studentship in Catalysis and Machine Learning
Introduction. Transition to net zero demands replacement of non-renewable resources with renewable alternatives. In the chemical industry, a promising solution is to substitute petroleum for annually renewable and non-edible organic matter (“biomass”). Read more
Water fingerprinting for health and lifestyle assessment
The. Centre for Sustainable & Circular Technologies. at the University of Bath is inviting applications for the following funded PhD project commencing in October 2022. Read more
PhD in Chemistry - Microwave assisted synthesis of doped semiconductors for photocatalytic applications
Microwave assisted synthesis of doped semiconductors for photocatalytic applications. Dr Jennifer Edwards (. https://www.cardiff.ac.uk/people/view/38516-edwards-jennifer. Read more
PhD in Chemistry: Materials design and machine learning applied to heterogeneous catalysis
Materials design and machine learning applied to heterogeneous catalysis. PhD Supervisor. Dr. Andrew J. Logsdail. http://www.cardiff.ac.uk/people/view/481607-logsdail-andrew. Read more
PhD in Chemistry: Earth-Abundant First Row Transition Metal Catalysis for Diverse Alcohol Functionalization
Dr Louis Morrill (. https://www.cardiff.ac.uk/people/view/69691-morrill-louis). is looking for a PhD student to work on the research project “Earth-Abundant First Row Transition Metal Catalysis for Diverse Alcohol Functionalization”. Read more
PhD in Chemistry: Computer simulation of metal-amyloid interaction and its role in plaque formation
Alzheimer’s disease is one of the greatest healthcare challenges facing 21st century society. AD is associated with formation of fibrils and plaques in brain tissue that impair proper functioning of neurons. Read more
PhD in Chemistry: Asymmetric catalysis using environmentally benign calcium complexes
Dr Ben Ward. http://www.cardiff.ac.uk/people/view/38527-ward-benjamin. is looking for a PhD student to work on the research project ’Asymmetric catalysis using environmentally benign calcium complexes’. Read more