Calendar View

New Mathematics for the Exascale: Applications to Materials Science (March 13 - June 16, 2023)

Workshop I: Increasing the Length, Time, and Accuracy of Materials Modeling Using Exascale Computing (March 27 - 31, 2023)

09:00-09:50

David Bowler: why we need it, and how we do it (Large-scale and linear scaling DFT)

10:15-11:05

Vikram Gavini: Fast, Accurate and Large-scale Ab-initio Calculations for Materials Modeling

11:30-12:20

Volker Blum: Large-scale electronic structure theory in FHI-aims and ELSI

14:30-15:20

Reinhold Schneider: A Multi-Reference Coupled Cluster Method for the Computation of Excited States and Tensor Networks (QC-DMRG)

15:50-16:40

Paul Kent: Extending the reach and accuracy of Quantum Monte Carlo in materials