Videos

Lin Lin - Large scale hybrid DFT functionals: fast algorithms and finite-size effects

Presenter
May 2, 2022
Abstract
Recorded 02 May 2022. Lin Lin of the University of California, Berkeley, Mathematics, presents "Large scale hybrid DFT functionals: fast algorithms and finite-size effects" at IPAM's Large-Scale Certified Numerical Methods in Quantum Mechanics Workshop. Abstract: I will discuss recent progress in accelerating DFT calculations with hybrid functionals, which requires the solution of Hartree-Fock-like equations. In the second part of the talk, I will discuss the finite-size effects of Hartree-Fock calculations for periodic systems. Learn more online at: http://www.ipam.ucla.edu/programs/workshops/workshop-iii-large-scale-certified-numerical-methods-in-quantum-mechanics/?tab=schedule