Skip to main content

Projects

As a scientific user facility, the Environmental Molecular Sciences Laboratory (EMSL) provides expertise, instrumentation, and resources to 250 projects each year. 

Projects displayed below reflect information and abstracts that were published before April 30, 2024. To review current EMSL user projects, visit Science Central™.

  • Projects beginning at or after given date.
    Projects ending at or before given date.

Characterization of Model Superacid Catalysts

Lead Institution
Oregon State University
Principal Investigator
Gregory Herman
Project type
Exploratory Research
The isomerization of n-alkanes is of much interest for the formation of branched hydrocarbons for improved quality fuels. Sulfated-zirconia is a promising next generation catalyst for these and…

Developing More Efficient Fuel Cells 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 parallelised computational chemistry tools in order to rationalise the fundamental chemical processes occurring at the atomic level…

Pressure Sensor

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Allan Evans
Project type
Exploratory Research
We propose the development and fundamental demonstration of a MEMS pressure sensor technology that will operate in extreme pressures and temperatures. The initial performance target will be less…

43Ca NMR Spectroscopy of Ca2+ Dependent Proteins and models

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Paul Ellis
Project type
Large-Scale EMSL Research
We are exploring the application and utility of low temperature solid-state NMR methods to the observation of 43Ca in Ca2+ dependent proteins. Our first application is to the protein calbindin D9k …

Advances in Understanding Electron Transfer Kinetics at Environmental Interfaces

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Kevin Rosso
Project type
Large-Scale EMSL Research
This EMSL user proposal requests a continuation of EMSL access for a BER funded Environmental Molecular Sciences Institute (EMSI) project led by Dr. Rosso at PNNL. This project constitutes the PNNL…

Development of Time-Dependent Quantum Reaction Dynamics for Surface Reactions

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Eric Bylaska
Project type
Large-Scale EMSL Research
We propose to develop multi-dimensional, state-of-the-art time-dependent quantum dynamics (TDQD) computational methods for catalytic surface reactions. Our aim is to obtain accurate initial-state…

Development of 1st principles dynamics with exact exchange and spin-orbit ZORA

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Eric Bylaska
Project type
Large-Scale EMSL Research
1st principles methods of dynamical simulation will be developed that can treat the complex chemistry of actinide elements. In developing new solvers, emphasis will be placed on methods that will…

On Improving Current Colloid Filtration Theory Models

Lead Institution
University of California, Davis
Principal Investigator
Timothy Ginn
Project type
Large-Scale EMSL Research
This project uses trajectory simulations of colloidal particles in saturated porous media to obtain theoretical predictions of particle transport and deposition. The trajectory simulations provide a…

Laboratory Spectroscopy of CO2 for Earth Observations

Lead Institution
NASA Langley Research Center
Principal Investigator
Mary Smith
Project type
Exploratory Research
For several instruments on the AURA and AQUA satellites, retrievals of atmospheric temperature profiles are based on observed radiances in infrared spectral regions where emission from atmospheric…

Experimental and Theoretical Studies of Reaction Pathways for the Breakdown of Chlorinated Hydrocarbon Molecules by Metal and Metal Oxide Nanoparticles(including PNNL Scope # 42184/44076, Baer/Amonette/Tratnyek Nano-Fe BES/EMSP project)

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
James Amonette
Project type
Large-Scale EMSL Research
Metal and metal-oxide nanoparticles have been shown to have high reactivity towards a variety of chemical species, including chlorinated hydrocarbons and reducible oxyanions that frequently…

Cooperation on Nanocomposite Materials Using PNNL/EMSL User Facilities

Lead Institution
Rensselaer Polytechnic Institute
Principal Investigator
Kuiyang Jiang
Project type
Exploratory Research
Nanotechnology is leading to unprecedented understanding and control over the basic building blocks and properties of natural and man-made materials. We propose here to establish a cooperation with…

Protein complexes altered by oxidative stress and determined by FTICR-MS

Lead Institution
University of Tennessee
Principal Investigator
Heather Smallwood
Project type
Large-Scale EMSL Research
To clarify the dynamics of radical mediated modifications, originating from reactive oxygen species (ROS) produced by macrophages, we analyzed modifications to calmodulin (CaM) using immunoblotting…