Two-Week Online Workshop on

QuantumATK

Material Science DFT Calculations

24 June - 09 July 2024

About the Workshop

This online workshop will give comprehensive introduction to QuantumATK, gradually building up from basic concepts to more advanced topics over the course of two weeks.


QuantumATK is a powerful simulation software package widely used by researchers and engineers worldwide for atomistic simulations, electronic structure calculations, and materials design. Whether you're a student exploring the fundamentals of quantum mechanics or a seasoned researcher pushing the boundaries of materials science, QuantumATK provides the tools and capabilities to accelerate your research and innovation.

Speakers

Sanu Xavier

CTO, MGU Innovation Foundation

Deepak Upadhyay

Application Engineer, Integrated Microsystem

Ayush Singh

Application Engineer, Integrated Microsystem

Workshop Schedule

Day 1

7.30 pm IST

DFT and TDDFT calculations, work function calculations

Day 2

7.30 pm IST

Transport calculations with QuantumATK

Day 3

7.30 pm IST

Calculate the band structure of a crystal

Day 4

7.30 pm IST

Phonons, Band structure and Thermoelectric

Day 5

7.30 pm IST

Structure Building

Day 6

7.30 pm IST

Carbon Nanotube Junctions

Day 7

7.30 pm IST

MoS2 Nanotubes

Day 8

7.30 pm IST

Polymer Builder

Day 9

7.30 pm IST

Vibrational modes and Vibration Visualizer

Day 10

7.30 pm IST

How to Setup Basic Molecular Dynamics Simulations

Day 11

7.30 pm IST

Spin-orbit splitting of semiconductor band structures

Day 12

7.30 pm IST

Electrical characteristics of devices using the IV Characteristics study object

Day 13

7.30 pm IST

Building an interface between Ag(100) and Au(111)

WORKSHOP FEATURES

HPC aceess

With a norminal payment, participants can access MGUIF Paramastra HPC service for one month 

Recordings 

Recordings of live sessions will be available for future reference. 

Doubt Clearing 

Dedicated doubt clearing session is scheduled at the end of the workshop. 

Certificate

eCertificate will be provided

REGISTRATION

Registration Fee: Rs. 3000  |  USD 50 ONE

HPC access fee: Rs. 3000  |  USD 50      (optional)

SIAS Research Center 

Kohinoor, Near Calicut University, Kerala

Dr. Suhaib EP  

coordinator@siasrf.com; +917893652869