Projects

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

EMSL projects displayed on the EMSL web site project page reflect project abstracts and information migrated to this page before April 30, 2024. To review current and past EMSL user projects, visit EMSL Science Central.™

Molecular Structure and Interaction at Aqueous, Non-Aqueous Liquid Interfaces and Catalytic Solid Surfaces

Lead Institution

Fudan University

Principal Investigator

Hongfei Wang

With the development of surface nonlinear spectroscopy in the last two decades, it is now possible to interrogate the molecular details of the structure and interactions at molecular interfaces. This…

Parallelizing Support Vector Machines

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Kevin Glass

The proposed project will focus on distributed and shared memory techniques to improve the execution efficiency and accuracy of Support Vector Machines (SVM). Current research suggests that SVM will…

A hyperbaric AFM for imaging mineral surfaces in supercritical CO2 - year 2

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Scott Lea

Storage of anthropogenic carbon dioxide (CO2) in deep underground saline aquifers has been proposed as a viable method of slowing the increase of CO2 in the earth's atmosphere while continuing…

Light Source Photocathode Performance and Development

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Theva Thevuthasan

Accelerator photocathode technology must be advanced to meet the needs of fourth generation light sources. The ultimate output characteristics and cost of next generation UV or X-ray sources, whether…

57Fe-Mossbauer studies of sediment cores from Integrated Field-Scale Subsurface Research Challenge Site at Rifle, Colorado

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Ravi Kukkadapu

The U.S. DOE faces the challenge of cleaning up and/or monitoring large, dilute plumes contaminated by metals, such as U, Tc, Pu, Hg, Cr, etc, whose mobility and solubility change with aquifer redox…

Introduction to Parallel Computing Course

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Kevin Glass

Parallel computing is growing in importance in both the scientific and commercial computing worlds. Part of this growth can be attributed to changes in computer architecture such as multicore…

Karl Mueller - HPC offer commitment

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Karl Mueller

Scope is HPC calculations in support of various research activites.

First-Principle Study on Interactions of Transuranium Elements with Biologically Important Ligands

Lead Institution

Los Alamos National Laboratory

Principal Investigator

Ping Yang

Actinides have led to increased environmental contamination and public health concern due to their introduction into groundwater and natural environments via various human activities. In order to…

3d reconstruction of bacterial extracellular material for investigation of membrane turnover during metal reduction.

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Alice Dohnalkova

Dissimilatory metal reducing bacteria can immobilize soluble metals such as Fe, U or Tc by reducing them into less soluble material. This presents an elegant method for immobilization of motile toxic…

PLFS Testing on Chinook

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

David Brown

Many HPC Applications do periodic checkpointing to save state after each itteration of a simulation. Sometimes the scientific application creates I/O patterns that do not fit Chinook very well. In an…

FEDERALLY-FUNDED FELLOWS PROGRAM IN EMSL for 2009

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Terry Law

This proposal creates an umbrella proposal for students and faculty members who are funded by special federal programs that seek to promote science in minorities and education fields. Federally…

Introducing Parallel Computing to Undergraduate Students

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Kevin Glass

Parallel computing is growing in importance in both the scientific and commercial computing worlds. Part of this growth can be attributed to changes in computer architecture such as multicore…

Characterization of inorganic thin films on polymer substrate

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Theva Thevuthasan

We have received some oxide thin films that were grown on polymer substrate for characterization as a part of TAP program. The PIs are interested in elemental qunatifications in these films.

TiO2 photocatalyst poisoning/contamination TAP project

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Mark Engelhard

Puralytics makes a water treatment system using UV-activated photoctalysis to remove organic and other contaminates from water. The photocatalytic material is becoming de-activated/contaminated by…

Characterizing Signaling Networks in Single Cells

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Bryan Linggi

Cell communities exhibit complex responses to changes in their environment. Studying the molecular changes (e.g., RNA and protein) associated with these changes is likely to improve the ability to…

Simulation of Heterogeneous Catalytic Systems for Identification of Atomistic Features from Microscopy: An Integrated First-Principles Electronic Structure and Chemical Imaging Analysis Approach

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Amity Andersen

Simulation using first-principles electronic structure methods has become an integral part of the process of understanding the structure of catalytic surfaces, nanoparticles, and the reactions that…

Site specific atomic resolution chemical imaging to probe structure-property relationship under dynamic and/or operando conditions using in-situ and ex-situ methods based on multi-instrument approach

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Chongmin Wang

The goal of this proposal is to develop chemical imaging capabilities that drive the atomic-level imaging and spectroscopic analysis of materials related to energy and environmental issues under in…

Metal Binding by Melanin Biopolymers

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Eric Walter

The ubiquitous biopolymer melanin has important and unique materials properties, yet these very properties have prevented elucidation of its basic structure. MAS-NMR capabilities at EMSL will probe…

Advanced Computational Methods for Optimizing Constrained Transmission Rights

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Kurt Glaesemann

Financial Transmission Rights (FTRs) are a financial insurance tool used by power market participants to minimize congestion and maximize delivery efficiency and profitability. The determination…

Solution studies to probe active enzymes (cyclophilin-A) and design novel therapeutics (interleukin-8)

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Nancy Isern

Overview: A major but essentially unexploited advantage of nuclear magnetic resonance (NMR) spectroscopy is that this technique can be used to monitor active enzymes in solution in order to obtain…

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