Jiri Pittner
Institution
Academy of Sciences of the Czech Republic
Projects
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: implementations of efficient decomposition techniques for two-electron integrals
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Karol Kowalski
Fully In Silico Calibration Of Empirical Predictive Models For Environmental Fate Properties Of Novel Munitions Compounds
Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Kurt Glaesemann
Project type
Large-Scale EMSL Research
Development, validation, and applications of parallel implementations of multireference coupled cluster theories
Lead Institution
Brookhaven National Laboratory
Principal Investigator
Hubertus Van Dam