Project Title:     Optimization of an Electronic Structure Calculation Method



Yang Wang, Senior Computational Scientist
Fuyang Tian, Visiting Scientist



Ab initio electronic structure calculation is widely used as a computational tool for the determination of physical properties of materials. For this internship position, the student is required to learn how to use MuST, an open-source software for ab initio electronic structure calculations. The student will apply MuST to calculate the crystal structure and mechanical properties of transition metals and optimize the implicit parameters for MuST.


Required Background


Desired Major

Physics/Chemistry/Materials Science




Learning Focus

Learning to use and apply ab initio electronic structure calculation method.


Desired Results

Students gain practical experience in using ab initio electronic structure calculation method to study the properties of metals.



The student in this position will receive an hourly wage.


To apply, please submit a cover letter and resume to Vivian Benton,
The deadline to apply is March 31, 2020.