AIM & OBJECTIVES

A three-day national symposium on "2^nd DAE Symposium on Advances in Atomistic and Continuum Modeling (2nd DAE-SAACM2026)" is being organized by Chemical Engineering Group, Bhabha Atomic Research Centre (BARC), Trombay, Mumbai, India, during 19-21 November, 2026 at Multipurpose Hall, TSH, Anushaktinagar. The symposium is being 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).

Today atomistic modeling comprising of electronic structure calculations and molecular dynamics simulations are decisively used to estimate the properties and behavior of molecules and materials even before they have been synthesized. Additionally, ML and AI have accelerated the molecular search space which has boosted the design and 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 interactions between them. Conversely, continuum simulations focus on relatively large spatial domains and long time scales targeted at deciphering the behaviour of a system/component/equipment under consideration by simulating the underlying physics/phenomena. Continuum modeling tools such as mathematical modeling and simulation, Computational Fluid Dynamics modeling, and multiphysics modeling are increasingly being used for knowledge-based efficient design, confident scale-up, and process intensification. Integrating the 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 models. Developing effective coupling algorithms that preserve the accuracy and consistency of data across scales is essential for reliable multiscale simulations. Further, Quantum computing which has the potential to revolutionize various industries by offering computational capabilities that surpass classical computers will be of great importance in accelerating the multiscale modeling.

The symposium is proposed to bring together the experts in Atomistic Simulations, Continuum Modeling, ML, AI, Parallel and Quantum computing from DAE and other research institutes for exchange of ideas among research scholar, postdoc, scientists and faculties. The symposium will cover the following topics.