Our research involves theory and computation as applies to problems in nanotechnology, properties of materials, molecular structures and spectroscopy. We are interested in electronic structure methods, in quantum and classical theories of molecular dynamics, and in using these methods to simulate the electronic structures and properties of the new nanomaterials and large biologic molecules
1. Mechanics of the proton and electron transfer in DNA base pairs
2. Characteristic of the novel binuclear and trinuclear transition metal compounds
3. Enhanced mechanics of the surface enhanced Raman scattering in the metal nanoparticle
4. Electronic properties, energy band and dynamics of nanoscale metal clusters
5. Molecular potential function and molecular spectrum
2014.7 to Now
西南交通大学
物理科学与技术学院
Name of Research Group:新型功能材料设计团队
Description of Research Group:课题团队成员包含博士生、硕士生、留学生共计十余名，欢迎报考加入课题组！
