Jaehyung Yu: CSE 2015 Fellow

Mechanical Science and Engineering

Application of Quantum Monte Carlo Framework to Real Engineering Problems: Extension to Complex Wide Gap Materials and Unique Nanostructures

Electronic properties of semiconductors highly depend on the presence of defects in a semiconductor. Although there are several experimental techniques to characterize defects, it is difficult to connect electronic properties and the presence of defects. Therefore, I use first-principle calculations to suggest an alternative way on characterizing semiconductor properties. Utilizing the work-horse simulation tool, density functional theory (DFT), and a new technique, Quantum Monte Carlo (QMC), it is possible to achieve benchmark high-accuracy on electronic properties of semiconductors. Based on the high accuracy of computational tools, I research on interesting phenomena in various nanostructures of semiconductors. My research topic includes electronic properties induced by polaronic defects in ZnO and ZnSe, the cause of forming twin-plane defects in GaAs nanowires, and charge-transfer behaviors in MoS2-WS2 nanosheet heterojunctions.



Jaehyung Yu is a first year doctoral student in Mechanical Science and Engineering at UIUC. He is a graduate of KAIST, South Korea in 2012, where he received a BS in Mechanical Engineering. After graduating from KAIST, Jaehyung worked in the Boston Consulting Group in Seoul for one year.


Since coming to UIUC in 2013, Jaehyung has been working with professor Elif Ertekin in Mechanical Science and Engineering department. His master’s degree thesis is ”establishing a framework of quantum Monte Carlo calculation on II-VI semiconductor.” Currently Jaehyung is working on the electronic properties simulations of semiconducting materials in various structures including nanowire and 2D nanosheets.


For a brief research video: https://youtu.be/EMOpUtyyIgA

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