Jeffrey Hammond
Institution
Intel Corporation
Projects
Kinetics Study of the Oxidation of Nitrogen-Containing Compounds by Multireference Second-Order Perturbation Theory and Multireference Coupled-Cluster Theory
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Karol Kowalski
Catalyzed Adsorption at Carbon Nanotube Defects: Studies using Multireference Coupled Cluster Methods
Lead Institution
Brookhaven National Laboratory
Principal Investigator
Hubertus Van Dam
Kinetics Study on the Pyrolysis and Oxidation of Energetic Materials by Multireference Second-Order Perturbation Theory and Multireference Coupled-Cluster Theory
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Karol Kowalski
Kinetics Study on the Pyrolysis and Oxidation of Energetic Materials by Multireference Second-Order Perturbation Theory and Multireference Coupled-Cluster Theory
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Karol Kowalski
Development of efficient implementations of many-body electronic structure methods for the Intel MIC
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Karol Kowalski
Development of efficient implementations of many-body electronic structure methods for the Intel MIC
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Karol Kowalski
Development and testing of efficient off-loading strategies for many-body electronic structure methods
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Karol Kowalski
Development and testing of efficient off-loading strategies for many-body electronic structure methods: implementations of efficient decomposition techniques for two-electron integrals
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Karol Kowalski
High Accuracy Modeling of Frequency Dependent Polarizabilities: Exploring the Cutting Edge Limits of NWChem
Lead Institution
Lawrence Berkeley National Laboratory
Principal Investigator
Wibe De Jong
Development of accurate force fields for aqueous biological environments using a massively parallel multiscale approach
Lead Institution
Intel Corporation
Principal Investigator
Jeffrey Hammond
Project type
Capability Research
Ultra-high accuracy simulations for large molecular systems: Exploring the Cutting Edge Limits of NWChem
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Karol Kowalski
Development, validation, and applications of parallel implementations of multireference coupled cluster theories
Lead Institution
Brookhaven National Laboratory
Principal Investigator
Hubertus Van Dam