School of Basic Sciences · IIT Bhubaneswar

SCALE Group

SCALE stands for Simulation of Complex Systems Across Length and Energy. We use theory, molecular simulation, and machine learning to understand how complex materials and biological systems behave, and to turn that understanding into predictive design principles.

SCALE Group research illustration
Structure Dynamics Prediction

Research Focus

We develop simulation, physics-based modelling, and machine-learning approaches for two focus areas: electrolyte design for sodium-metal and sodium-sulfur batteries, and gene regulation through genome biophysics, DNA packing, and bioinformatics-informed physical models.

Research Thrust 01

Electrolyte Design for Sodium Batteries

We design liquid, solid, and composite electrolytes for sodium-metal and sodium-sulfur batteries by connecting molecular design, solvation structure, interfacial stability, ion transport, and machine-learning-guided materials discovery.

Sodium-metal batteries Sodium-sulfur batteries Liquid electrolytes Solid electrolytes Composite electrolytes SEI formation Ion transport ML potentials
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Research Thrust 02

Genome Biophysics and Gene Regulation

We combine polymer physics, soft-matter physics, kinetic modelling, bioinformatics, and machine learning to understand DNA packing inside the nucleus, enhancer-promoter contacts, TADs, gene regulation, and physics-based models from bioinformatics data.

Polymer physics Soft matter Genome organization DNA packing Gene regulation Enhancer-promoter dynamics Physics-based models Kinetic models Bioinformatics
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