BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE, PILANI

HYDERABAD CAMPUS
BITS G540 : Research Practice
PLAN OF WORK
Date: 28-02-2014

1. Title of the proposed thesis: Electronic structure calculations and transport properties in
lower dimensional systems
2. Work Plan for the thesis:
We will study the existing methodologies (e.g. Density-functional theory, Hartree-
Fock theory, Hybrid functional method, Pseudo-potential method etc.) for electronic
structure calculations of materials.
Next we will apply above-mentioned methodologies for different lower dimensional
systems (LDS) e.g quantum wire, nano-rod, quantum dots, small molecules etc.
We will draw comparisons between results obtained using different methods
mentioned in the first point.
Finally we will construct transport parameters from the previous ab-initio studies and
model the transport equation to study electronic as well as spin-transport through
these systems.

3. Work plan for the research practice course:
To prepare for the thesis work by learning basic programming, ab-initio calculations in
computer and surveying literature.

Signature of the student
Name:
ID No: