Videos

Antoine Levitt - Numerical methods for scattering and resonance properties in molecules and solids

Presenter
May 3, 2022
Abstract
Recorded 03 May 2022. Antoine Levitt of the Institut National de Recherche en Informatique Automatique presents "Numerical methods for scattering and resonance properties in molecules and solids" at IPAM's Large-Scale Certified Numerical Methods in Quantum Mechanics Workshop. Abstract: The problem of discretizing continuum states appears in a number of contexts in electronic structure: scattering problems, photo-ionization cross-sections, resonances, etc. The numerical challenge is to represent extended states using finite computational domains. I will present a recent effort to understand these problems mathematically (with M-S. Dupuy) and numerical methods to compute these properties efficiently (with I. Duchemin, L. Genovese, E. Letournel and S. Ruget), with example applications in condensed matter physics and chemistry. Learn more online at: http://www.ipam.ucla.edu/programs/workshops/workshop-iii-large-scale-certified-numerical-methods-in-quantum-mechanics/?tab=schedule