Hubertus Van Dam

Brookhaven National Laboratory

Projects

Development, validation, and applications of parallel implementations of multireference coupled cluster theories

Lead Institution

Brookhaven National Laboratory

Principal Investigator

Hubertus Van Dam

In this project we are requesting copious amounts of computer time to develop, test, and apply a new generation of highly scalable multireference coupled cluster (MRCC) codes for high-precision …

Catalyzed Adsorption at Carbon Nanotube Defects: Studies using Multireference Coupled Cluster Methods

Lead Institution

Brookhaven National Laboratory

Principal Investigator

Hubertus Van Dam

In this project we apply the recently developed multireference coupled cluster capabilities in NWChem to the study of physical and chemical processes in the adsorption of gas molecules to carbon…

Cooperative Interactions of Marine Macromolecules at the Air-Water Interface

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Philip Rasch

Project type

Large-Scale EMSL Research

Sea spray aerosol (SSA) particles formed from bubbles bursting at the ocean surface contain a large fraction of organic matter. The presence of this organic matter is driven by the adsorption of…