Computational Chemistry
Event TypePaper
Applications
Scalable Computing
TP
TimeThursday, 19 November 202010am - 11:30am EDT
LocationTrack 2
Presentations
| 10:00am - 10:30am EDT | Scalable Heterogeneous Execution of a Coupled-Cluster Model with Perturbative Triples | |
| 10:30am - 11:00am EDT | A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K | |
| 11:00am - 11:30am EDT | Scaling the Hartree-Fock Matrix Build on Summit |