The field of condensed matter physics, which overlaps with chemistry, materials science, and engineering, attempts to understand the physical properties of materials. This includes a broad range of topics including but not limited to:

•  Structural, Electronic, Dielectric, Electrical, Magnetic, and Optical Properties of Materials;
• Novel Quantum Materials – superconductors, topological insulators, Weyl semimetals, and quantum spin liquids;
• Magnetoelectric and multiferroic materials;
• 2D and 3D Magnetic Systems;
• Quantum Hall Effect;
• Energetic Materials;
• Semiconductors, Photovoltaics, Optoelectronics and Photonics;
• Magneto-Transports, Magnetic Interfaces and Spintronics;
• Complex Oxides and Emergent Phenomena.

Developing sustainable and renewable energy technologies is one of today’s major global challenges. Many of the current technologies that produce clean energy, fuels, and value-added chemicals depend on catalysts– materials that selectively speed up desired chemical reactions. A fundamental understanding of how and why these catalysts work at the smallest scales—molecular to atomic scale, would allow us to design novel materials that are cost-efficient, more
sustainable, and better for the environment. Over the past few decades, progress in both experimental and theoretical methods, especially computational modeling, in catalysis and surface science, has allowed researchers to obtain atomic‐scale insights into catalytic science, such as bond-forming and breaking processes inherent to catalysis. In this presentation, I will share our group’s recent work on the development of materials for energy and sustainability using
a multiscale modeling approach that combines first principles density functional theory calculations, kinetic modeling, and machine learning. I will focus on two main areas, thermal and electrocatalysis, and showcase some examples of successful development of an integrated multiscale approach to material design.