One-day User Training Workshop on Materials and Computational Chemistry Software AMDKIIT
A Linear Scaling Hybrid-DFT Code for Ab Initio Molecular Dynamics
Event Details
Date: Thursday, April 25, 2024
Venue: Online mode
Organized by: Centre for Development of Advanced Computing, Pune under NSM
About AMDKIIT
AMDKIIT is a hybrid density functional theory (DFT)–based molecular dynamics program developed under NSM. It supports plane-wave and pseudo-potential-based DFT calculations, offers integration with LIBXC for a wide range of density functionals, and performs wave function and geometry optimization. Designed for scalability, it is compatible with future exascale computing systems.
More Information:
https://github.com/AMDKIIT/amdkiit
Agenda
This one-day workshop includes lectures, demonstrations, and hands-on sessions to help participants understand and apply the AMDKIIT software.
Target Audience
This workshop is tailored for researchers, students, faculty, and professionals interested in computational chemistry and materials science. PARAM Brahma users will have access to hands-on sessions, while others may attend lectures, demos, and Q&A.
Speakers
- Prof. Nisanth N. Nair, Professor, Department of Chemistry and Dean of Digital Infrastructure and Automation, IIT Kanpur
- Nisha Agrawal, Scientist E, C-DAC Pune
- Dr. Paramita Ghosh, Senior Project Engineer, C-DAC Pune
- Subhojeet Das, Project Engineer, C-DAC Pune
Organizing Committee
- Ashish Nayak, Project Engineer, C-DAC Pune
- Dr. Paramita Ghosh, Senior Project Engineer, C-DAC Pune
- Rahul Dethe, Project Engineer, C-DAC Pune
- Subhojeet Das, Project Engineer, C-DAC Pune
Workshop Coordinator
Nisha Agrawal, Scientist E, HPC-I&E Group, C-DAC Pune
Registration
Registration is free.
Contact
For any questions or doubts and quick responses, feel free to post your queries on the
NSM MSCC Forum under the category “AMDKIIT”, or email us at:
mscc-support@cdac.in