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Fully-funded PhD studentship at the National Uni ... (No replies)
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We are looking for two Ph.D. students who are interested in computational design for rechargeable batteries and AI for science. We are based at the Department of Materials Science and Engineering, National University of Singapore. We are dedicated to advancing the field of materials science through cutting-edge computational research and development. Our group values diversity, and there are no citizenship/gender restrictions.
Scope of your work:
The goal of this project is to understand the fundamental design principles to improve the ionic conductivity of solid-state electrolytes (SSEs) materials. There are many ways to achieve this purpose. For example, doping has been shown to improve the carrier mobility in solid-state electrolytes. However, the origin of the effect of the doped element on such ultra-fast ion conductivity has not been well understood. In this study, you will combine state-of-the-art computational modeling methods such as density functional theory (DFT) with Monte Carlo calculations to understand the doping thermodynamics of many representative materials. This information will then be used to calculate their kinetic properties using kinetic Monte Carlo simulations, which also link the properties in atomistic and mesoscopic scales and provide the foundation for future works in larger length scales. Additionally, we will probe the effect of grain boundaries on the kinetic properties of carriers, which has not been studied before. The results of this study will provide a fundamental understanding of the doping effects on the conductivity of SSEs at different length scales. This knowledge will be used to design new SSEs with ultra-fast ion conductivity, which will enable the development of safer and higher-performance batteries.
Please contact Dr. Zeyu Deng ([email protected]) for more information with your CV. Experiences in computational materials science is not essential, and we welcome people from different background. Potential graduate students should follow the admission to the Ph.D. and M.Eng., National University of Singapore (https://cde.nus.edu.sg/mse/graduates/master-of-engineering-meng-doctor-of-philosophy-phd/), especially the minimum GRE scores. For more information on application, fees, graduate scholarship, please refer to NUS Graduate (https://cde.nus.edu.sg/graduate).
We also support excellent candidate (e.g. with offer from other prestigious institutions) to apply for President’s Graduate Fellowship, Singapore International Graduate Award (SINGA), A*STAR Graduate Fellowship, and AI Singapore Scholarship (AISG). Please refer to scholarship list (https://nusgs.nus.edu.sg/scholarships-list).
More details can be found here: matsci.dev (https://matsci.dev/openings/)