Teaching/Research Experience

Associate Instructor: Undergraduate Chemical Engineering Statistical Thermodynamics, Mississippi State University, USA (Fall 2019)
Instructor: Dr. Neeraj Rai
Deliver class lectures on selected topics in electronic structure methods

Guest lecturer: Undergraduate Physics Computational Course, University of Stuttgart, Germany (Fall 2017)
Instructor: apl. Prof. Dr. Maria Fyta
Hands on tutorial on molecular simulations


Teaching Assistantship as a part of Ph.D. at IISER-TVM, India (2012-2017)

Undergraduate Science Courses: Helped students understand course material, develop solutions for home work in tutorial sessions, proctoring, paper correction and grading marks.

1. Atomic Structure and Chemical Bonding (Course for I year BS-MS students with
class size of 140) - Instructor - Dr. Vinesh Vijayan

2. Principles of Physical Chemistry (Course for II year BS-MS students with class
size of 130) - Instructor - Dr. R. S. Swathi

3. Symmetry and Group Theory (Course for III year chemistry majors and IPHD students with class size of 60 - Instructor - Prof. M. S. Gopinathan)

4. Computational Chemistry Laboratory Course (Course for IV year chemistry majors and IPHD students with class size of 40) - Instructors: Dr. Mahesh Hariharan and Dr. R. S. Swathi

College Lecturer: Department of Physical Chemistry in David Memorial Degree and P. G. College, Hyderabad, India, (for a semester) in 2011.


Academic Mentoring

Research projects assisted during post-doc

1. Screening of Organic Conjugated Polymers - Towards Narrow Band Gap Near-Infrared Materials.

2. Evolution of the Electronic Structure in Open-Shell Donor-Acceptor Organic Semi-conductors.

3. Topological Tailoring of Linear Polycyclic Diradical Hydrocarbons.

4. Understanding the Electronic Structure of Small Molecules using Quantum Chemical Methods.

5. A Deep Learning Model to Interpret Ionic Current Signals to Sense the DNA with MoS2 Nanopores.

6. Domain-size Effect on the Electronic Properties of Two-dimensional MoS2/WS2.



Research projects assisted during Ph.D.

1. Noble Gas Encapsulation into Carbon Nanotubes: Predictions from Analytical Model and Density Functional Theory (DFT) Studies.

2. Modelling the Electronic States of Hydrogen Molecule using the Heitler-London-Sugiura Method.

3. Understanding Van der Waals Interactions using Hamaker Approach for Sphere-Shell Configuration.

4. Understanding the Manifestation of Perturbation Theory using the Harmonic Oscillator Model.

5. Study of Optical Features in Metals using Some Simple Models.

6. Theoretical Studies on Adsorption of Monocyclic Carbon Clusters on Graphene
Sheet.