home:students:luoye

This page introduces projects I did in undergraduate years.
Most of the contents are directly translated from chinese counterparts.

# Education

2006.8-2010.7 Fudan University, candidate of B.S. in Physics
2003.9-2006.7 Zhenhai Middle School, Zhejiang Prov.

# Research Interests

• Computational physics
• First-principle methods of electronic structure theory.
• Application of such methods to study properties of solids, surfaces and clusters.
• Computational material science
• Design of materials with features desired.
• Materials used to store or generate energy.

This project is supported by Hui-Chun Chin and Tsung-Dao Lee Chinese Undergraduate Research Endowment (CURE) in FDUROP.

I implemented an algorithm(C & Fortran hybrid) to design materials with desired feature values. In this project, I debugged and tested the code on binary alloys. Then, I added functional modules to calculate semiconductors` properties and obtained novel four-element alloys. Besides, my program was able to design materials with arbitrary supercell and thus find structures left out by traditional method which combines simulated annealing with superlattice. Up till now, I have written almost 2500 lines of codes originally.

My application proposal in Chinese is here. Code is not available currently.

I wrote Ccodes based on my reading of Simulated Annealing and added Conjugated Gradient local optimizer which improved the precision in three orders of magnitude. Then, I used them to find the most stable distributions of electrons residing on a unit sphere shell. I visualized structures I found, studied the symmetries of distributions and verified Altschuler Conjecture to the extend of hundreds of electrons. ==== Presentation Report & Codes ==== {{:home:students:luoye:推广的模拟退火算法解决电子在球面上的分布.pdf

• home/students/luoye.txt
• 最后更改: 2018/12/21 07:30
• (外部编辑)