• 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

Research Interests

• 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

Publications

• List of Publications
• Alternate List of Publications

Office Location: MSB 202B

Personal Homepage: http://mme.iitm.ac.in/satyesh

Alternate email: yadav.satyesh@gmail.com