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Predicting new structure of 2D materials under tension

wuyuzhen - Posted on 21 November 2015

Project Description: 

The discovery of a new material usually requires many years. With recent rapid developments in computational materials science, the search for new materials through computational modeling has become practical.Stable 2D crystal structures will be predicted by using simulation methods.This research may require some basic knowledge of Linux environment.

Researcher name: 
Wu Yuzhen
Researcher position: 
master
Researcher department: 
Department of Mechanical Engineering
Researcher email: 
wuyuzhen@hku.hk
Research Project Details
Project Duration: 
09/2015 to 08/2016
Project Significance: 
In this project, the student will perform computational searches for new materials exhibiting novel properties. The student will learn how to predict stable crystal structures using simulation methods at the electronic and atomic levels.
Results Achieved: 
Stable 2D crystal structures will be predicted by using simulation methods. Some novel properties can be applied in many fields.
Remarks: 
The prediction need USPEX to do some calculation.HPC can accelerate the process of the project.