VASP Workshop at IIT Bombay, Mumbai (2026)

VASP Workshop Mumbai 2026

November 11 – 13, 2026 | Indian Insitute of Technology Bombay, Mumbai, India

We are pleased to announce the upcoming VASP Workshop 2026, co-organized with the VASP team. This three-day, in-person event provides a valuable opportunity for researchers to engage directly with the developers of the Vienna ab-initio Simulation Package (VASP).

The workshop is designed for researchers from both academia and industry who wish to deepen their understanding of ab-initio calculations, density functional theory and machine learning interatomic potentials. The program combines morning lectures with afternoon hands-on sessions to ensure a practical grasp of the code’s capabilities.

Schedule

Day 1 / Wednesday, Nov 11

Foundations

• 08:00 - 08:45: Check-in and Registration

• 08:45 - 09:00: Welcome

• 09:00 - 10:30: Introduction to ab-initio Simulations (DFT, PAW, Basic Input) — Dr. Marie-Therese Huebsch

• 11:00 - 12:30: Structure Relaxation & Surfaces — Dr. Michael Wolloch

• 13:30 - 15:00: Basics of Molecular Dynamics (MD) and MLFF — Dr. Marie-Therese Huebsch

• 15:30 - 17:00: Hands-on: Atoms, Molecules, Bulk, Phonons, and Surface Science

• 17:30: Poster Session

Day 2 / Thursday, Nov 12

Advanced Functionals & Scaling

• 09:00 - 10:30: Electronic Structure Theory and Magnetism — Dr. Merzuk Kaltak

• 11:00 - 12:30: Keynote Lecture — Prof. Georg Kresse

• 13:30 - 15:00: Large-scale Calculations: High Throughput and HPC — Dr. Michael Wolloch

• 15:30 - 17:00: Hands-on: Molecular Dynamics, Machine Learning Force Fields, and Magnetism

• 17:30: Meet the VASP Developers

Day 3 / Friday, Nov 13

Kinetics & Electrochemistry and Catalysis

• 09:00 - 10:30: Transition States and Thermodynamic Integration — Dr. Christopher Sheldon

• 11:00 - 12:30: Introduction to Electrochemistry — Prof. Sudarshan Vijay

• 13:30 - 15:00: Hands-on: Transition States (TS) and Electrochemistry 

• 15:00: Closing Remarks

Participating in the Workshop

• Apply to be a part of the workshop here. If accepted, you will receive an email with registration details.

• Registrations are limited to 50 participants.

• Regular fee:

  • PhD students and postdocs: ₹4,000

  • Faculty members: ₹10,000

  • Industry participants: ₹12,000

• Scholarship Fee: Free. Available only for PhD students. Apply with CV and motivation letter to sudarshan.vijay@iitb.ac.in and workshop@vasp.at. Please use the following title in your email: "Scholarship application for VASP Workshop at IIT Bombay"

Important Dates

• Registration Opens: May 15, 2026

• Scholarship Deadline: July 1, 2026

• Final Registration Deadline: September 15, 2026

• Workshop Dates: November 11 – 13, 2026

Contact

Sudarshan Vijay: sudarshan.vijay@iitb.ac.in

VASP: workshop@vasp.at