One-day User Training Workshop on Materials and Computational Chemistry Software ANN-CI
Machine learning (artificial neural network) based software for selected configuration interaction method
Event Details
Date: Friday, September 13, 2024
Venue: Online mode
Organized by: Centre for Development of Advanced Computing, Pune
About ANN-CI
ANN-CI is machine learning (artificial neural network) based software for selected configuration interaction method that can be applied to strongly correlated molecular systems. It supports various calculation methods and includes active learning modules to improve convergence and efficiency. The workshop will provide an overview and hands-on sessions to help users understand the software’s structure and capabilities.
More Information:
https://github.com/dghoshlab/AL-MCCI
Important Dates
- Registration starts: August 20, 2024
- Registration end: September 4, 2024
- Workshop date: September 13, 2024
- Mode of workshop: Online
Workshop Registration Link:
https://forms.gle/2hTNqpN75xhtv2jY8
Kindly note that registration is free and the participants will receive the participation certificate after successful completion of the training.
Prerequisites
Participants must have a working knowledge of Linux.
Target Audience
This workshop is tailored for researchers, students, faculty, and professionals interested in material and computational chemistry applications. Participants will gain an understanding of ANN-CI software and hands-on experience in using the software on the NSM HPC system.
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, C-DAC Pune
Speakers
- Prof. Debashree Ghosh, Professor, School of Chemical Sciences, Indian Association for the Cultivation of Science, Kolkata
- Dr. Koushik Seth, Project Engineer, Member ANN-CI Developer Team, C-DAC Pune
- Nisha Agrawal, Scientist E, C-DAC Pune
- Rahul Dethe, Project Engineer, C-DAC Pune
About Prof. Debashree Ghosh
Affiliation: School of Chemical Sciences, Indian Association for the Cultivation of Science
Telephone: 9049522954
Email: pcdg@iacs.res.in
Telephone: 9049522954
Email: pcdg@iacs.res.in
Prof. Ghosh obtained her M.S. from IISc (2005) and Ph.D. from Cornell University (2010). Her research focuses on polarizable force fields and hybrid frameworks for excited-state electronic structure methods. She has received multiple honors including the Walter Kohn Prize (2022) and SERB-POWER Fellowship (2022).
Contact
For any questions or doubts and quick responses, feel free to post your queries on the
ANN-CI Discussion Forum under the category ANN-CI, or email us at:
mscc-support@cdac.in