Undergraduate Internship for Computational Nano-engineering Research

Dinadayalane Tandabany, Clark Atlanta University

Usage Details

As a part of the Blue Waters Student Internship Program, Dinushka Herath will be trained to conduct high-performance computations on nano-engineering research. Two graduate students, working under the guidance of the PI, will mentor Herath on the assigned project and also get an opportunity to run calculations on Blue Waters.

The research project to be carried out during the one-year internship is nitrogen-doping on graphene using quantum mechanical and ab initio molecular dynamics calculations. Quantum mechanical calculations are useful to understand the N-doping induced charge transfer that has great impact on the design and development of metal-free heteroatom-doped graphene-based catalysts for fuel cell and many other applications.