Second Workshop on Accelerating Scientific Discovery in Chemistry and Materials Science with HPC and AI (ACMS 2026)
Held in conjunction with the 33rd IEEE International Conference on High Performance Computing, Data, and Analytics (HiPC 2026)
December 16–19, 2026 | Bengaluru, India
Poster Submissionकार्यशाला के बारे में
The राष्ट्रीय सुपरकंप्यूटिंग मिशन (एनएसएम) is a flagship Government of India initiative focused on developing a world-class supercomputing ecosystem through infrastructure, applications, skill development, and R&D. Under its application development pillar, the Materials and Computational Chemistry (MSCC) project develops and deploys advanced software for materials modelling and chemistry simulations on HPC platforms. Following the success of First Workshop on Accelerating scientific discovery in Chemistry and Materials Science with HPC and AI (ACMS 2025) , which brought together 150+ researchers, students, and developers from 30+ institutions, the Second Workshop ACMS 2026 aims to expand collaboration at the intersection of Computational Chemistry, Materials Science, AI, and HPC.
Computational chemistry and materials science leverage methods such as Density Functional Theory (DFT), Molecular Dynamics (MD), and mesoscale modelling to study complex systems across multiple length and time scales. Advances in AI/ML and HPC are enabling accelerated materials design, molecular screening, property prediction, workflow automation, and data-driven scientific discovery. The Second Workshop ACMS 2026 will bring together researchers, domain experts, and software developers to discuss emerging challenges, showcase innovations, and highlight open-source and indigenously developed computational tools.
Through keynote lectures, invited talks, software demonstrations, and poster sessions, ACMS 2026 will promote awareness and adoption of advanced computational methodologies and software. The workshop aims to address challenges related to accessibility, training, and user engagement while strengthening indigenous scientific software ecosystems, encouraging collaborative development, and fostering a vibrant community leveraging HPC and AI for scientific discovery in Chemistry and Materials Science.
Proposed Speakers
Prof. Phani Motamarri
आईआईएससी बैंगलोर
Prof. Gandham Phanikumar
आईआईटी मद्रास
Prof. K. Ganapathy Ayappa
आईआईएससी बैंगलोर
Prof. Nisanth Nair
आईआईटी कानपुर
Prof. P. J. Guruprasad
आईआईटी बॉम्बे
Prof. Santanu Mahapatra
आईआईएससी बैंगलोर
Prof. Varadharajan Srinivasan
आईआईएसईआर भोपाल
Prof. Vidhyadhiraja N S
JNCASR, Bangalore
Dr. Shachi Gosavi
NCBS-TIFR, Bangalore
Dr. Mrunalini Puranik
Philips, Bangalore
Dr. V. Venkatesh Shenoi
C-DAC, Pune
Ms. Nisha Agrawal
C-DAC, Pune
Call for Posters / Topics of Interest
The poster session aims to provide a forum for researchers, students, and industry practitioners to present early-stage research, case studies, tools, or ongoing work related to the theme of the workshop.
Molecular Quantum Chemistry
Density Functional Theory for Materials
Materials Modelling at the Mesoscale, Microstructure, and Kinetics
Soft Matter Simulations
Strongly Correlated Electron Systems
Artificial Intelligence / Machine Learning for Chemistry and Materials Science Discovery
We encourage submissions covering the broad area of Chemistry and Materials Science Applications on HPC platforms that present novel ideas, work in progress, including preliminary results and recent developments.
The scope of the ACMS workshop is on computational methods in Chemistry and Materials Science, which are leveraged by HPC, to study a range of materials systems, their properties, and the phenomena underlying their behavior.
We expect the posters to emphasize the underlying computational methodology, its algorithmic complexity, inherent parallelism, and scaling challenges, and showcase the computational efforts required for materials discovery and phenomena.
Following the theme of HiPC, we seek entries with the spirit of AI/ML-driven Chemistry and Materials Science discovery, covering the entire landscape of Computational Chemistry and Materials Science, enabling the ACMS workshop to emerge as a forum for researchers in this domain.
The poster session is an excellent opportunity for feedback and informal networking.
महत्वपूर्ण तिथियां
Submission Site Opens
September 1, 2026
Full Poster Submission
October 9, 2026
Author Notifications
November 6, 2026
Camera-Ready Version
November 13, 2026
Conference Dates
December 16–19, 2026
Student Scholarship Opportunity
One student author per accepted poster from an Indian university will be eligible for a student scholarship covering:
- Registration fees for HiPC 2026
- Reimbursement of travel cost on actual (maximum up to AC III tier train fare from their local address to Bengaluru)
Conditions for Availing the Scholarship
- The student must attend the full conference (4 days) in person along with the SRS-specific activities.; reimbursement will be made in person on the last day of the conference.
- Each student is required to submit a write-up of the sessions attended, each day, at the front desk.
- Student Author can use any mode of transport to reach Bengaluru, and the journey can start from any location. However, the travel reimbursement is limited to the actual fare, subject to a maximum of AC III tier (train).
- Authors from Bengaluru-based institutions will be reimbursed for registration fees only.
Poster Submissions | Present Your Research
Share your research, case studies, computational methodologies, software, or ongoing work with the ACMS 2026 community. For submission guidelines and further information, please visit the
अधिक जानेंसमिति का गठन
Workshop Co-Chairs
Prof. Phani Motamarri
IISc, Bengaluru
Dr. V. Venkatesh Shenoi
C-DAC, Pune
Ms. Nisha Agrawal
C-DAC, Pune
Committee Members
- Prof. Abhik N. Choudhury — IISc, Bengaluru
- Prof. Nisanth N. Nair — IIT Kanpur
- Prof. Abhijit Chatterjee — IIT Bombay
- Prof. Varadharajan Srinivasan — IISER Bhopal
- Mr. Vinodh Kumar M. — C-DAC Pune
- Mr. Sanjay Wandhekar — C-DAC Pune
- Mr. Ashish Nayak — C-DAC Pune
- Dr. Paramita Ghosh — C-DAC Pune
- Mr. Subhojeet Das — C-DAC Pune
संपर्क
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