Nitin Gawande | Environmental Molecular Sciences Laboratory

Mechanistic Modeling of Subsurface Multifluid Flow and Biogeochemical Reactive Transport

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Steven Yabusaki

Project type

Capability Research

A reliable means of quantitatively predicting fluid movement and biogeochemistry in the subsurface environment is of significant value to the Department of Energy (DOE) and to our nation as a whole. …

Integrating genome-scale metabolic modeling of a microbial community into simulations of subsurface flow and biogeochemical reactive transport.

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Steven Yabusaki

Project type

Exploratory Research

The goal of this project is to develop a mechanistic, quantitative, and predictive simulation capability for coupled flow and biogeochemical reactive transport that accounts for • genome-specific…

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

Ignition is undoubtedly one of the most critical events governing the satisfactory performance of many combustion devices including rocket engines that launch national security payloads by the three…

Development of efficient implementations of many-body electronic structure methods for the Intel MIC

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Karol Kowalski

We propose to modernize the NWChem suite of computational chemistry codes towards effective utilization of the emergent hybrid parallel computer systems based on the Intel Many Integrated Core…

Research Innovation through Next-Generation Supercomputing (RINGS)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Timothy Scheibe

The subsurface environment is highly heterogeneous and structured across a wide range of physical scales. Microorganisms sense and respond to environmental conditions within a very small spatial…

Research Innovation through Next-Generation Supercomputing (RINGS)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Timothy Scheibe

The subsurface environment is highly heterogeneous and structured across a wide range of physical scales. Microorganisms sense and respond to environmental conditions within a very small spatial…

Biology in Space and Time (BioSaT) Research Campaign

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Scott Baker

Significant research effort is currently aimed at developing cost effective plant biomass deconstruction for biofuel production. Moreover, the recalcitrance of plant cell walls to rapid degradation…

Projects

Mechanistic Modeling of Subsurface Multifluid Flow and Biogeochemical Reactive Transport

Integrating genome-scale metabolic modeling of a microbial community into simulations of subsurface flow and biogeochemical reactive transport.

Kinetics Study on the Pyrolysis and Oxidation of Energetic Materials by Multireference Second-Order Perturbation Theory and Multireference Coupled-Cluster Theory

Development of efficient implementations of many-body electronic structure methods for the Intel MIC

Research Innovation through Next-Generation Supercomputing (RINGS)

Research Innovation through Next-Generation Supercomputing (RINGS)

Biology in Space and Time (BioSaT) Research Campaign