Hyderabad

December 17, 2025

On December17th, 2025 in Hyderabad, the city became a hub of scientific exchange as the workshop "Accelerating Scientific Discovery in Chemistry and Materials Science with HPC and AI (ACMS 2025)" unfolded alongside the 32nd IEEE International Conference on High Performance Computing, Data, and Analytics (HiPC 2025). Organized by C-DAC under the National Supercomputing Mission (NSM), ACMS 2025 drew together researchers, scientists, software developers, students, and industry professionals, all united by a common goal-to explore how high-performance computing and artificial intelligence are reshaping discovery in computational chemistry and materials science.

The workshop featured keynote lectures, invited talks, and 25 poster presentations covering topics such as Density Functional Theory, molecular dynamics, multiscale modeling, AI/ML for materials discovery, and HPC algorithms. Notably, 70% of posters were student-led, reflecting strong participation from young researchers across 30+ national institutions.

ACMS 2025 emphasized community building, software accessibility, and collaboration, showcasing indigenously developed and open-source software deployed on NSM HPC systems. The workshop received special mention and appreciation during the Day 2 inaugural session of HiPC 2025, underscoring its impact on the national HPC and data analytics community.

Distinguished speakers included experts from IISc Bangalore, IIT Bombay, IIT Kanpur, IACS Kolkata, SRM University, Shell, and TCS Research, who shared insights into advanced methodologies and real-world applications.

Looking ahead, ACMS is poised to become a recurring platform for innovation and capacity building in computational chemistry and materials science, strengthening ties between academia, national laboratories, and industry.For more details, visit: ACMS 2025 Discussion Page