Theoretical and Computational Condensed Matter Physics; Nanoscale Science; Surface Science; Real-Space Electronic Structure Theory; Molecular Dynamics; Quantum-mechanics Based Simulations; Quantum Electronic Transport
Current Research
Prof. Jayanthi’s research focuses on the development of methodologies for large-scale simulations based on robust semi-empirical Hamiltonians with the goal of determining the structure-property relationships of novel complex materials with reduced symmetries. Using these methods, she has studied unusual electro-mechanical responses of single-wall carbon nanotubes, colossal magnetic responses of carbon nanotori, phonon modes in capped carbon nanotubes, etc. Her recent research interests include studies on the structural and electronic properties of SiC clusters, SiC nanowires, and two-dimensional boron sheets. One of the goals of these studies has been to design materials with improved properties for the next generation of electronic devices.
Significant Publications:
For citations of publications, please visit Google Scholar
1. Low-dimensional boron structures based on icosahedron B12 C B Kah, Ming Yu, P. Tandy, C.S. Jayanthi, and S.Y. Wu, Nanotechnology 26, 405701(2015)
2. Initial stage of growth of single-walled carbon nanotubes: modeling and simulations I. Chaudhuri, Ming Yu, C.S. Jayanthi, and S.Y. Wu, J. Phys. Condensed Matter 26, 115301 (2014)
3. Theoretical Predictions of SiC bucky-diamond Cluster Ming Yu, C.S. Jayanthi, and S.Y. Wu, Nanotechnology 23, 235705 (2012)