How Hard is It to Predict the Kohn-Sham Kinetic Energy Density for a Prototype Potential Using Deep Neural Networks?

Carlos Cardenas

http://www.birs.ca/events/2024/5-day-workshops/24w5171/videos/watch/202409091530-Cardenas.html

Birs- 24w5171: Towards Routine Orbital-free Large-Scale Quantum-Mechanical Modelling of Materials