GPU Bootcamps are an exciting and unique way for scientists and researchers to learn the skills needed to start quickly accelerating codes on GPUs. Held as a virtual event across four days in October, this event will introduce you to available GPU libraries and frameworks through extensive hands-on collaboration for Molecular Dynamics Applications. 

The attendees will be exposed to accelerating popular Molecular Dynamics applications like GROMACS, NAMD etc on GPU. Attendees will be allowed to bring their own dataset and mentors from NVIDIA will help the users to get maximum speedup on their own datasets.

Event Format

This two-day online Bootcamp will be hosted in the India Standard Time (IST) zone. All communication will be done through Zoom, Slack, and email. 


  • This event has limited capacity and is open to IIT Delhi users using Molecular Dynamic / Quantum Chemistry Frameworks for Research only.
  • No GPU Programming knowledge is required.

Compute Resources

Attendees will be given access to IIT-Delhi GPU cluster for the duration of this Bootcamp.


Day 1 October 19, 2021: 9:00AM - 12:00PM IST

  • Introduction to Accelerated Computing ( Lecture )
  • Accelerated Molecular Dynamics ( Lecture )
  • Demos ( Module, Enroot Based )
  • Q&A

Day 2 October 20, 2021: 9:00AM - 12:00PM IST

  • Mentorship: Users bring their own dataset and NVIDIA mentors help the participants to use best practices to accelerate simulation
Event Focus

Important Event Dates

  • IIT Delhi Molecular Dynamics Bootcamp Application Deadline
  • IIT Delhi Molecular Dynamics Bootcamp Day 1
  • IIT Delhi Molecular Dynamics Bootcamp Day 2