International workshop and conference on

Evolution of Electronic Structure Theory and Experimental Realization

Jointly organized by SRMIST KTR (India), IIT Madras (India) and Uppsala University (Sweden)

December 14 – 18 , 2020 in webinar mode



Topics to be covered:

Theory Lectures:

  • Density Functional Theory (DFT), Exchange correlation functional, Pseudopotentials
  • DFT implementation with different basis sets 
  • Quasi-particles and GW
  • Model Hamiltonian
  • Novel algorithms and frameworks for materials simulation
  • Machine learning and DFT

Tutorial Session:  Quantum Espresso

Experimental Lecture in line with the theory Lectures:  

  • Electron spectroscopy: ARPES
  • Scanning Tunneling Microscopy
  • Surfaces, interfaces and heterojunctions
  • Probing quantum structures

Applications of Emerging Materials:

  • Energy Materials
  • Functional Materials
  • Spintronics Materials
  • 2D Materials 
  • Topological Materials
  • Strongly Correlated Materials
  • Quantum Materials


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