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Khoi Dang

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Year

2018-2019

Research Description

Developing methods to systematically search for singlet-triplet crossings, which will be used to explain and predict mechanisms where intersystem crossing plays a key role in the reaction.

Zhitong Bai

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Year

2018-2019

Research Description

Predictive modeling on the evolutions of defects (e.g. grain boundaries, dislocations, obstacle clusters) in structural materials, and their mechanical consequences. Methods include molecular dynamics (MD), potential energy landscape (PEL)-based method, and finite element method (FEM).

Sicen Du

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Year

2018-2019

Research Description

Phase field simulations for electrochemical phenomena and image processing for microstructure reconstruction with machine learning techniques.