This page introduces projects I did in undergraduate years. Most of the contents are directly translated from chinese counterparts.
罗页(Ye LUO)
Email: xw111luoye(a)gmail.com
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.
Academic Experience
Invese Material Design
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.
Proposal Presentation & Codes
My application proposal in Chinese is here. Code is not available currently.