Description du poste
Density functional theory (DFT) has become the most widely employed approach for electronic structure calculations, with broad applications spanning chemistry, physics, biology, materials science, and related fields. The accuracy of DFT predictions is however limited by the approximations inherent in existing density functional approximations (DFAs), that can lead to deviations from experimental observations or even erroneous interpretations. These limitations are particularly pronounced in the study of organic conjugated systems displaying magnetism. In this project, we aim to develop an advanced DFA with enhanced accuracy for such challenging systems. The newly developed DFA will be applied to investigate how spin can be used to control light emission or electric conductance. Manchester entry is open to UK and international students. Chinese nationals from Mainland China, Taiwan, Macau and Hong Kong, including dual nationals, should apply through Peking. For full eligibly and funding information, please see our dedicated page here PhD dual award - Manchester and Peking University | Science and Engineering Faculty NB: All projects advertised under the UoM-Peking University dual award scheme are competition-funded and not all projects advertised will offer a place on the programme. Please contact the main supervisor Dr Igor Roncevic in advance of an application to discuss your experience and please include details of your current level of study, academic background and any relevant experience and include a paragraph about your motivation to study this PhD project. To be considered for this project, you must complete a formal application through our online application portal. If you already have an applicant account, this link will directly open an application for the Manchester-Peking programme. If you don’t already have an applicant account, please follow the instructions here . When applying, you’ll need to specify the full name of this project as displayed on this page including UoM-Peking at the beginning, the name of your supervisor, how you’re planning on funding your research, details of your previous study, and names and contact details of two referees. Please, enter “Dual award funding” in the field asking about how you’re planning on funding your research.