Research Area

• Physics and chemistry of materials from first-principles electronic structure modeling
• First-principles thermodynamics
• Rational design of materials
• Atomic structure modeling of materials using quantum mechanics derived potentials
• Mapping electronic and atomic structure to properties of materials
• Understanding structure, property, and processing relation of materials
• Accelerating design of novel materials using modeling and experiments
• Electronic, atomic, and continuum modeling of dislocations
• Materials for energy conversion and storage and optoelectronic devices

Experience

• 2024 - Till date

  Associate Professor

• 2016 - 2024

  Assistant Professor

About

Dr Satyesh Kumar Yadav completed his PhD from the University of Connecticut in 2013. He was a postdoctoral fellow at Los Alamos National Laboratory from 2013 to 2016. He joined the Metallurgical and Materials Engineering department at IIT Madras in December 2016. He earned his B.Tech degree from IIT Roorkee in the year 2008. He heads the Materials Design lab, which aims to design materials by understating the processing-structure-property relationship at the atomic level. He introduced a course on Atomistic Modelling of Materials. The course has been helping students to learn how to model materials as a set of atoms using quantum mechanics-based density functional theory (DFT). His lab develops methods to stabilize ultra-thin noble metal films supported on ceramic substrates using a magnetron sputtering machine and atomistic modelling-assisted processing parameters.

Selected Journal Publications

• SK Yadav, J Wang, XY Liu., Ab initio modeling of zincblende AlN layer in Al-AlN-TiN multilayers, Journal of Applied Physics 119 (24), 224304.
• EB Watkins, J Majewski, JK Baldwin, Y Chen, N Li, RG Hoagland, Neutron reflectometry investigations of interfacial structures of Ti/TiN layers deposited by magnetron sputtering, Thin Solid Films 616, 399-407.
• N Li, SK Yadav, J Wang, XY Liu, A Misra, Growth and Stress-induced Transformation of Zinc blende AlN Layers in Al-AlN-TiN Multilayers, Scientific Reports.

Recognitions