Density functional theory: Fundamentals and applications
Since the publication of the Hohenberg–Kohn theorems on 1964, which laid down the formal foundations of density functional theory (DFT), DFT has become a unique and invaluable tool for many researchers across a range of disciplines. DFT is the method of choice for electronic structure calculations in solid state physics, quantum chemistry, materials science, and even molecular biology. This popularity results from the fact that DFT calculations are relatively simple to implement, yet are often accurate within a reliable computational cost that makes them the ideal choice for investigation of materials. In this talk, the discussion of fundamentals and applications of DFT, including its origins, successes, failures, and controversies, will be presented.
Coming Soon!