Projects

Secondary Organic Aerosol Formation Mechanisms and Growth Dynamics

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Rahul Zaveri

Project type

Large-Scale EMSL Research

Recent theoretical and laboratory studies have revealed that the timescales of secondary organic aerosol (SOA) partitioning and the associated aerosol size distribution growth dynamics depend on the…

Stochastic methods for electronic structure and correlation in large molecular systems

Lead Institution

University of California, Los Angeles

Principal Investigator

Daniel Neuhauser

Project type

Large-Scale EMSL Research

Post Hartree-Fock (HF), fifth rung density functional theory (DFT), and many-body perturbation theory (MBPT) calculations are of importance for the estimation of observables dependent on correlation…

Quantifying the functional and structural states of dynamic microbial communities

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James Fredrickson

Project type

Large-Scale EMSL Research

The overall goal of this proposal is to provide a quantitative framework in which to compare species-resolved patterns of gene expression, allowing comparison of the effects of perturbations of…

Understanding deactivation pathways in bio-oil upgrading with the use of in situ NMR and EPR techniques

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Mariefel Olarte

Project type

Large-Scale EMSL Research

Biomass is the most readily available renewable source of liquid transportation fuel. According to DOE, fast pyrolysis followed by catalytic upgrading is projected to be the most cost effective among…

Development of Novel Chemical Architectures for Supercapacitor Electrolytes as New Energy Storage Materials using Computational Methods

Lead Institution

Los Alamos National Laboratory

Principal Investigator

Neil Henson

Project type

Large-Scale EMSL Research

This project proposes to use a number of state-of-the-art, highly parallelized computational chemistry tools in order to rationalize the structure and properties of the use of dendrimers as…

Sub Nanometer Sized Clusters for Heterogeneous Catalysis

Lead Institution

University of New Mexico

Principal Investigator

Abhaya Datye

Project type

Large-Scale EMSL Research

Providing sustainable sources of energy, chemicals, and materials is one of the most important long-term issues facing society. Catalysis plays a central role in creating sustainable sources of…

Evaluation of the Adaptation and Acclimation of Hypersaline Lithifying Microbial Mats to Salinity Disturbance in the Great Salt Lake Ecosystem

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Stephen Callister

Project type

Large-Scale EMSL Research

Multiple capabilities at EMSL will be applied to mat microbial communities present along a salinity gradient between the North and South arms of the Great Salt Lake, UT. These lithifying microbial…

Multiscale Modeling for Hydrogenases

Lead Institution

Texas A&M University

Principal Investigator

Michael Hall

Project type

Large-Scale EMSL Research

Hydrogen is a clean-burning fuel with high energy density and has become a target as one ecological-friendly fuel for the future. Hydrogenase proteins catalyze the reversible conversion of molecule…

Impact of phase state and viscosity of organic aerosol particles on the reactive uptake of carbonyls in secondary organic aerosol (SOA) formation

Lead Institution

Harvard University

Principal Investigator

Scot Martin

Project type

Large-Scale EMSL Research

Secondary organic aerosol (SOA) is a major constituent of submicron atmospheric aerosol particles, whose effects on climate and human health remain highly uncertain. Until very recently SOA particles…

Characterization of sources from intermediate-scale field lysimeter studies of plutonium vadose zone transport

Lead Institution

Clemson University

Principal Investigator

Brian Powell

Project type

Large-Scale EMSL Research

The objectives of this work are to develop qualitative conceptual models and quantitative reactive transport models of plutonium migration in unsaturated zones (i.e. the vadose zone). The unique…

Identifying the key organisms, pathways and locations of lignocellulosic biomass transformation and hydrogen production in wood-feeding Passalid beetles

Lead Institution

Lawrence Berkeley National Laboratory

Principal Investigator

Eoin Brodie

Project type

Large-Scale EMSL Research

Passalid beetles, such as Odontotaenius disjunctus, are subsocial insects that process large amounts of woody biomass by feeding on triturated wood. These beetles have co-evolved with their digestive…

Is the mobilization of sedimentary phosphorus a key player for sustaining eutrophication in the Chesapeake Bay?

Lead Institution

University of Delaware

Principal Investigator

Deb Jaisi

Project type

Large-Scale EMSL Research

With the rise of coastal dead zones, oxygen-dependent feedback effects on phosphorus (P) cycling in coastal environments will play more important roles globally. Proposed research will employ…

Structure and Dynamics of Ions and Fluids at Organo-Mineral-Fluid Interfaces

Lead Institution

St. Mary's College of Maryland

Principal Investigator

Geoffrey Bowers

Project type

Large-Scale EMSL Research

Our research program strives to provide new insight into the fundamental molecular-scale dynamics, energetics, and reactivity of geochemically relevant solid-fluid interfaces through combined…

Fundamental Studies of Ice Nucleation Using Environmental Scanning Electron Microscope (ESEM)

Lead Institution

Purdue University

Principal Investigator

Alexander Laskin

Project type

Large-Scale EMSL Research

The proposed research is to demonstrate applicability of a novel experimental platform for systematic studies of ice nucleation efficiency of atmospheric particles with determination of…

Probing Particle Mediated Growth: Towards a Predictive Understanding of Self-Assembly for Energy Applications

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Kevin Rosso

Project type

Large-Scale EMSL Research

This Science Theme proposal aims at developing a fundamental understanding of forces between nanoparticles in aqueous solution that underpin self-assembly of materials by oriented aggregation. This…

Molecular composition and phase characteristics of secondary organic aerosols (SOA) relevant to the FIX2014 and SOAS2013 campaigns

Lead Institution

California Institute of Technology

Principal Investigator

John Seinfeld

Project type

Large-Scale EMSL Research

Secondary organic aerosols (SOA) can be a large component of the troposphere, potentially altering visibility, human health, atmospheric chemistry, and climate patterns on a regional scale. The…

Bioinspired Homogeneous and Surface-confined Catalysts for Energy Storage and Production Reactions

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Molly O'Hagan

Project type

Large-Scale EMSL Research

Three related research programs at PNNL focus on developing bioinspired electrocatalysts for energy storage, energy production, or carbon fixation reactions such as the production and oxidation of…

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…

Comprehensive chemical composition of Arctic aerosols and formation mechanisms of organosulfates investigated by highly advanced techniques

Lead Institution

Aarhus University

Principal Investigator

Marianne Glasius

Project type

Large-Scale EMSL Research

The fundamental insufficiency of scientific knowledge on the sources, formation and properties of aerosols, especially the organic aerosol fraction, hampers our knowledge of the climate system of the…

Understanding Water Splitting on Model Mixed Metal Oxide Photocatalysts

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Michael Henderson

Project type

Large-Scale EMSL Research

There is a need for new fundamental insights into photocatalytic water splitting particularly how to design catalyst systems that extend the catalytic and photocatalytic functionalities of simple…