DAE-SAACM 2024

AIM & OBJECTIVES

A four day national symposium on "DAE Symposium on Advances in Atomistic and Continuum Modeling (DAE-SAACM 2024)" is being organized by Chemical Engineering Group, Bhabha Atomic Research Centre (BARC), Trombay, Mumbai, India, during 23-26 October, 2024 at DAE Convention Centre, Anushaktinagar. The symposium is held in association with Society for Atomistic and Continuum Modeling (SACM) and supported by the Board of Research in Nuclear Sciences (BRNS), Department of Atomic Energy (DAE).

Atomistic modeling comprising electronic structure calculations and molecular dynamics simulations is decisively used to estimate the properties and behavior of molecules and materials-even before their creation. Additionally, machine learning (ML) and artificial intelligence (AI) have accelerated the molecular search space which has boosted the design & development of complex chemical system. Atomistic simulations often require high computational resources due to the large number of atoms involved and the complexity of the inter-atomic interactions. Conversely, continuum modeling may comprise large spatial domains and longtime scales, further adding to the computational burden. Integrating atomistic and continuum models while maintaining computational efficiency remains a formidable task. The behavior of materials at the atomic scale can significantly influence macroscopic properties, but bridging these scales requires robust methodologies for transferring information between atoms to continuum. Developing effective coupling algorithms that preserve the accuracy and consistency of data across scales is essential for reliable multiscale simulations. Further, Quantum Computing has the potential to revolutionize the field of science & technology by accelerating the multiscale modeling with enormous computational capabilities that surpass classical computers.

The symposium is proposed to bring together the experts in Electronic Structures and Atomistic Simulations, Continuum Modeling, ML, AI, Parallel and Quantum Computing from DAE and other research institutes for exchange of ideas among research scholars, scientists and faculties.