Meeting: Slides and Live Stream Recording of Meetings Presentations
NWChem Meeting on Science Driven Petascale Computing and Capability Development at EMSL
- January 25-26, 2007
- W.R. Wiley Environmental Molecular Sciences Laboratory
- Richland, WA
Live Stream Recordings of Presentations
The live streams of the presentations have been recorded and are available for viewing. For a detailed list of speakers in each session, please check the NWChem meeting agenda.
Slides of Meeting Presentations
The slides of the presentations are available for viewing:
- Bert de Jong (EMSL) - NWChem Status and Future Directions
- Erich Vorpagel (EMSL) - Highlights from Computational Research at EMSL
- Bruce Garrett (PNNL) - Computing Needs to Model Chemical Transformations: A DOE/BES Perspective
- Hai Lin (U. Colorado Denver) - Toward More Realistic Simulations for Large-size Reactive Systems by Combining Quantum Mechanics and Molecular Mechanics in New Ways
- Robert Harrison (ORNL) - NWChem in 2022
- Lubos Mitas (North Carolina State U.) - Quantum Monte Carlo advances: pfaffian wavefunctions, topology of fermion nodes and QMC/MD methods
- Kimihiko Hirao (U. Tokyo) - Toward a practical DFT for large systems
- Curtis Janssen (Sandia Nat. Lab.) - Component Architectures for Quantum Chemistry: Forging New Capabilities and Insights
- Kevin Rosso (PNNL) - Polaron transport in metal oxides: A Frontier for Computational Chemistry
- Wenchang Lu (North Carolina State U.) - Real-space method with multigrid acceleration (RMG): parallelization, scaling and applications to electronic structure and quantum transport problems
- Gregory Beylkin (U. Colorado Boulder) - Toward Solving the Multiparticle Schrodinger Equation via an Unconstrained Sum of Slater Determinants
- Rod Bartlett (U. Florida) - Large molecule applications of coupled-cluster theory: Parallel Implementations and Natural Linear Scaling
- Saday Sadayappan (Ohio State U.) - Compiler/Runtime Optimizations for the Tensor Contraction Engine
Due to adverse weather conditions, some speakers were unable to get to the meeting. Their presentations are available for review:
