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PhD positions at UNSW Sydney in computational ma ... (No replies)

priyankvkumar
5 years ago
priyankvkumar 5 years ago

Projects

The computational materials group in the school of chemical engineering at UNSW Sydney, led by Dr. Priyank V. Kumar, aims to develop material solutions in the areas of renewable energy, water and health-care through the application of atomistic computational techniques. To achieve this goal, the group actively collaborates with different experimental groups across UNSW and around the globe.

The following are the current research directions of the group. However, novel and creative ideas are always welcome and encouraged.

(i) Plasmonic photocatalysis: Plasmonic nanostructures offer a platform to utilize sunlight to carry out chemical reactions. However, the efficiency and selectivity of such catalysts remain poor. The group uses density functional theory (DFT) and time-dependent DFT (TDDFT) methods to understand these issues and design efficient plasmonic catalysts. Calculations are performed in experimental collaboration with the PARTCAT group at UNSW, led by Prof. Rose Amal.

(ii) Liquid metal-based catalysis: Liquid metals are a family of metals that can be processed and utilized at relatively low temperatures. Our interest in them derives from their unique malleable surfaces that can be used as catalytic media for various chemical reactions, which remains underexplored. Our group uses DFT and ab initio molecular dynamics to study them in close collaboration with the experimental team led by Prof. Kourosh Kalantar-zadeh at UNSW.

(iii) Water-filtration membranes: Membranes based on 2D materials such as graphene oxide have been shown to simultaneously block solutes and allow rapid permeation of water, making them commercially interesting as they can lead to cost savings. Development of such membranes is being pursued in collaboration with the experimental team led by Dr. Rakesh Joshi at UNSW. Ab initio and classical molecular dynamics along with DFT calculations are utilized to study and develop these membranes.

Ideal candidate

The candidate should demonstrate strong interest and motivation in the field of computational materials science and the research topic chosen. Proficiency in written and spoken English is essential. Given the collaborative nature of the projects, the candidate is expected to work well in a team. The group also has ongoing collaborations with research teams in Europe and USA. The candidate is expected to foster them through active participation and travel.

Location and UNSW

Sydney is a vibrant city offering many places to visit, lots of activities and social life. There are plenty of green parks and beaches to relax. The UNSW campus is located in the heart of the city. The average PhD student salary is about AUD 28,000 per annum.

Application

Please contact Dr. Priyank V. Kumar ([email protected]) along with your CV to express interest and for further information. The starting date would ideally be Feb 1, 2020. Applications are accepted beginning now until the position is filled.

 




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Ab initio (from electronic structure) calculation of complex processes in materials