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Computational Chemistry PhD Research Projects

We have 28 Computational Chemistry PhD Research Projects

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We have 28 Computational Chemistry PhD Research Projects

Atomistic and multiscale simulations of next generation energy storage systems

Supervisory Team. Professor Chris-Kriton Skylaris (80%) and Professor Denis Kramer (20%). Project description. Li-ion batteries have a vast range of applications from mobile phones and laptops to electric vehicles. Read more

PhD in Life Cycle Assessment for Sustainable Catalysis

Catalysis is a key technology for multiple industries and will play a critical role to achieve net zero ambitions. In 2020 bp international ltd (bp) set a goal of being a net zero company by 2050 or sooner and helping the world get to net zero. Read more

Molecular Modelling

Applications are now open for a fully funded PhD project in Molecular Modelling at the Bernal Institute at University of Limerick in the south west of Ireland. Read more

PhD in Catalysis

Cardiff Catalysis Institute (CCI) – Cardiff University (UK). Cardiff Catalysis Institute (CCI). is a premier academic catalysis facility in the UK, and a leading heterogeneous catalysis institute with 45 staff scientists. Read more

Machine Learning Models for Amorphous CO2 Reduction Electrocatalysts

The newly formed “Centre for CO2 Conversion” at QMUL is seeking PhD applicants for January 2022. The rising level of CO2 in Earth’s atmosphere is the single most important environmental challenge that our society must face. Read more

Tuned Iridium Catalysts to Deliver an Array of Synthetic Efficiency and Selectivity

A fully-funded, industry-linked, PhD Studentship is available in the Department of Pure and Applied Chemistry at the University of Strathclyde, Glasgow, under the collaborative supervision of Professor William J. Read more

PhD Thesis at Université de Montréal

The Department of Chemistry at the University of Montreal is looking for students who wish to pursue doctoral studies in all areas of chemistry. Read more

PhD in Non-thermal Plasma Methods for Sustainable Catalysis

  Research Group: Sustainable Industrial Engineering
Catalysis is a key technology for multiple industries and will play a critical role to achieve net zero ambitions. In 2020 bp set a goal of being a net zero company by 2050 or sooner and helping the world get to net zero. Read more

Improving the performance of organic light emitting diodes

Overview. A fully-funded PhD scholarship is available to study the physics of organic light emitting diodes (OLEDs). An OLED uses organic semiconductor materials to generate light, for example, in mobile phone screens and TVs. Read more

Theoretical chemistry including reactivity and structure

A scholarship is available to undertake PhD or MPhil study in the group of Dr Terry Frankcombe at the Canberra campus of the University of New South Wales (UNSW Canberra). Read more

Combined computational alchemy and deep learning

The Max Planck Institute for Biophysical Chemistry is one of the largest institutes of the Max Planck Society for the Advancement of Science and conducts basic research to advance knowledge and benefit society. Read more

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