Projects

Integrated Omics Analyses of a Populus Pedigree for Crop Improvement

Lead Institution

Oak Ridge National Laboratory

Principal Investigator

Chongle Pan

Project type

FICUS Research

Populus is a DOE flagship plant for biofuel biomass production. Improving Populus as a feedstock crop is a major focus of DOE Bioenergy Research Centers (BRCs) and many academic laboratories. Here,…

Genomes to dynamic decay communities: Understanding fungal interactions during early decomposition events in natural lignocellulosic substrate

Lead Institution

Swansea University

Principal Investigator

Dan Eastwood

Project type

FICUS Research

Understanding the microbial decomposition of lignocellulose and its contribution to global carbon cycling requires realistic model systems that go beyond in silico and single culture analyses. Fungal…

3D Reality Check: Developing Structural Support for Predicting Microbial Function and Interpreting Microbial "Omics" Data

Lead Institution

Marine Biological Laboratory

Principal Investigator

Zoe Cardon

Project type

FICUS Research

Microbial activities on which humanity and ecosystems depend, and which influence climate and support biofuel production, are determined both by microbial community membership and by the resources…

Computational Simulations of Antimicrobial Polymeric Surfaces and Biological Membranes

Lead Institution

Universidade Federal de Pernambuco

Principal Investigator

Thereza Soares Da Silva

Project type

Exploratory Research

Medical devices can give rise to treatment-resistant infections upon colonization by pathogenous bacteria. A detailed understanding of the interactions between biological cells and the device surface…

Seattle Structural Genomics Center for Infectious Diseases - Year VI

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Garry Buchko

Project type

Exploratory Research

The Seattle Structural Genomics Center for Infectious Disease (SSGCID) is funded by the National Institute of Allergy and Infectious Diseases (NIAID) to apply genome-scale approaches in solving…

Understanding DNA surface interactions for systems design and engineering

Lead Institution

University of Texas Medical Branch

Principal Investigator

Bernard Pettitt

Project type

Exploratory Research

DNA replication, DNA modification, and single organism engineering are being used in many fields of relevance to the DOE mission. Extensive knowledge of the fundamental reactions involved in these…

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…

In-situ TEM study of electrochemically-driven phase transformations in battery storage compounds

Lead Institution

Massachusetts Institute of Technology

Principal Investigator

Yet-Ming Chiang

Project type

Large-Scale EMSL Research

Many battery electrode materials, such as lithium transition metal olivines ( LiMPO4, M=Fe, Mn, etc) and oxide spinels (LiMn2O4, LiNi0.5Mn1.5O4, Li4Ti5O12, etc), exhibit phase transformation…

Investigations of Metal-organic Frameworks Using High-field Solid State NMR

Lead Institution

University of California, Berkeley

Principal Investigator

Jeffrey Reimer

Project type

Exploratory Research

Metal-organic frameworks (MOFs) have emerged as materials for the capture of CO2 from post-combustion flue gases. The knowledge of gas binding mechanisms and the in-depth understanding of MOF…

First-principle Studies for Correlated Materials

Lead Institution

Los Alamos National Laboratory

Principal Investigator

Enrique Batista

Project type

Large-Scale EMSL Research

This proposal is to request computational resources in the Chinook cluster for the coming three fiscal years. Our intention is to continue studies on actinide materials that we started with an open…

Decomposition Pathways of Glycerol on Titania-supported Pt and Cu Nanocatalysts

Lead Institution

Baylor University

Principal Investigator

Zhenrong Zhang

Project type

Large-Scale EMSL Research

Understanding the reaction mechanism is a key issue in the development of catalysts that can effectively convert glycerol, a top listed biomass-derived feedstock, to value-added chemicals. The…

Detection of low levels of organic compounds associated with microbially influenced minerals

Lead Institution

University of Montana

Principal Investigator

Nancy Hinman

Project type

Large-Scale EMSL Research

One of the challenges facing subsurface science is detection of paired information about microbial communities and associated minerals. One way to map microbial communities is through detection of…

Influence of Phase-Changing Medium on Surface-Enhanced Electromagnetic Fields and Coherence Lifetime of Active Plasmonic Nanostructures

Lead Institution

Vanderbilt University

Principal Investigator

Richard Haglund

Project type

Large-Scale EMSL Research

The miniaturization of photonic circuits is critical to 21st century data processing and telecommunication technologies. Plasmonics, based on the optical properties of metallic nanostructures, holds…

Sorption of aqueous organic molecules and amino acids on mineral surfaces: determination of binding geometry, local water structure and topological interactions

Lead Institution

Lawrence Berkeley National Laboratory

Principal Investigator

Glenn Waychunas

Project type

Large-Scale EMSL Research

A large frontier in geochemistry is the interaction of organic species with mineral surfaces. Compared to inorganic sorbates which form covalent and hydrogen bonds, organic structures may have…

Integration of multiple 'omics data sets into a predictive model of biofuel production in E. coli and S. cerevisiae

Lead Institution

Lawrence Berkeley National Laboratory

Principal Investigator

Hector Garcia Martin

Project type

Large-Scale EMSL Research

We propose to integrate transcriptomics, proteomic, metabolomic and 13C labeling data to create a multi-scale model of cellular metabolism able to predict quantitatively the amount of biofuel flux…

Probing surface hydroxyls of iron oxides by Sum Frequency Generation Spectroscopy

Lead Institution

Umea University

Principal Investigator

Jean-Francois Boily

Project type

Large-Scale EMSL Research

This work was devised to contribute to a new basis of understanding of mineral surface reactivity using Sum Frequency Generation (SFG) spectroscopy. As it is primordially focused on iron oxide…

Ultrahigh resolution spectroscopy and imaging of soil carbon dynamics and interactions with minerals and microbes

Lead Institution

Oak Ridge National Laboratory

Principal Investigator

Baohua Gu

Project type

Large-Scale EMSL Research

Global climate models conceptualize belowground soil organic matter (SOM) or carbon (C) as a large source of uncertainty because of the heterogeneity of various C sources with poorly defined chemical…

Improving Geochemical Source-term Models though an Increased Understanding of the Structure, Reactivity, and Dynamics of Nuclear Waste Form Interfaces

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Joseph Ryan

Project type

Large-Scale EMSL Research

EMSL resources are requested to enable an international team of collaborators to solve fundamental problems in interfacial glass corrosion chemistry. With the recent dismissal of Yucca Mountain as…

Well-defined Metal-Oxide Catalysts to Understand Fundamental Chemical Transformations

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Charles Peden

Project type

Large-Scale EMSL Research

Catalytic materials for the full and complex range of chemical transformations being considered for upgrading biomass-derived molecules to fuels and chemicals include metals dispersed on oxide- and…

First Principles Theory and Modeling of Interfacial Processes for Environment-Friendly Materials

Lead Institution

Argonne National Laboratory

Principal Investigator

Larry Curtiss

Project type

Large-Scale EMSL Research

A fundamental knowledge of the chemical and physical properties at gas-solid or liquid-solid interfaces is essential for the design and discovery of breakthrough materials. Computational strategies…