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PhD Engineering: From Atom to Device: Multi-scaled Simulations on Molecular-based Electronic Devices

   College of Science and Engineering

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  Dr V P Georgiev  No more applications being accepted  Competition Funded PhD Project (European/UK Students Only)

About the Project

The School of Engineering of the University of Glasgow is seeking a highly motivated graduate to undertake an exciting 3.5-year Ph.D. project entitled From Atom to Device: Multi-scaled Simulations of Molecular-based Electronic Devices within the Electronics and Nanoscale Engineering Division.

Life in the 21st century relies on transistors as they are fundamental for the automotive, medical, industrial and consumer markets as well as for the data processing and telecommunication sectors. Since its creation the transistor has undergone progressive shrinking in size to facilitate faster and smaller electronic devices. However, reducing the transistor’s size bellow tens of nanometres is currently the main challenge for the industry. In order to continue its scaling new materials and device architectures are required. Modelling and simulations are the most cost effective and shortest time-to-develop, time-to-design and time-to-innovation approach to evaluate these novel material properties and various devices’ geometries.

The main goal of this project is to perform simulations and develop a multi-physics computational framework for evaluation of novel materials and device architecture in order to create the next generation transistor and electronic devices. During the project’s span the Ph.D. student will aim to establish a link between electronic structure of a specific type of molecules and their electron transport properties. The project will also endeavour to answer the question of how different types of molecules would behave under applied bias and it will explore the variability and reliability issues in molecular-based devices and eventually provide design solutions and recommendations to improve the existing technology and fabrication process. The ultimate aim is to perform simulations of realistic molecular-based electronic devices, starting from single atoms and going all the way up to the device level.

The key component of this work is close collaboration with other research groups in the University of Glasgow. Working collaboratively will give the project the opportunity to establish a direct link and correlation between experimental results and simulations observables. A good track record in successful group collaboration is already established in the School and it can be proved by various papers, including the recent paper in Nature (

The ideal candidate will have good computational skills and background in engineering, physics or chemistry. Knowledge of computational methods such as the Density Functional Theory (DFT) and numerical methods is highly advantageous but not mandatory. Programing skills are not required but will be beneficial. The candidate must be self-motivated, interested in conducting interdisciplinary computational and theoretical research and to have good interpersonal skills.

The student will be part of the Device Modelling Group in the University of Glasgow, which is one of the leading semiconductor device groups worldwide. The group is the world leader in 3D simulations of advanced CMOS devices that include different sources of statistical variability.

Funding Notes

The studentship is supported by the School, and it will cover home tuition fees and provide a stipend for 3.5 years (estimated £14,999 for session 2019/20).

To be eligible for this funding, applicants must have ‘settled status’ in the United Kingdom and must have been ‘ordinarily resident’ for the past three years. EU nationals are generally eligible to receive a fees-only award.

It should be noted that other terms may also apply. For full details about eligibility please visit: