Projects

Catalysis from Metalated Zr6- and Hf6-Based Metal-Organic Frameworks

Lead Institution

University of Minnesota

Principal Investigator

Laura Gagliardi

Project type

Large-Scale EMSL Research

We would like to use the Cascade supercomputer to compute the structures, spectroscopic properties, and reactive capabilities of Zr6 based Metal-Organic Frameworks (MOFs) functionalized with metal…

GOAmazon: Atmospheric Aerosol Phase, Composition, and Water Vapor Uptake

Lead Institution

Lawrence Berkeley National Laboratory

Principal Investigator

Mary Gilles

Project type

Large-Scale EMSL Research

Atmopsheric particle phase, viscosity, and mixing state are inherently intertwined with one another. How particles change and evolve, particularly as a function of relative humidity is crucial for…

High-capacity cathode and anode materials for sodium batteries

Lead Institution

Qatar Foundation

Principal Investigator

Hamdi Yahia

Project type

Large-Scale EMSL Research

Since the sodium reserves are easily accessible, we decided to investigate sodium ion batteries (NaIBs), as new energy storage systems, for large-scale battery applications. This proposal seeks to…

An integrated 'omics approach for a systems-level understanding of the metabolic dynamics during fungal biomass degradation

Lead Institution

Technische Universität München

Principal Investigator

J. Philipp Benz

Project type

Large-Scale EMSL Research

The utilization of plant biomass by filamentous fungi requires the orchestrated production and secretion of hydrolytic enzymes, followed by transport and intracellular utilization of plant cell wall…

Biogeochemical and genomic determinants of methane cycling in freshwater wetland sediments

Lead Institution

Colorado State University

Principal Investigator

Kelly Wrighton

Project type

Large-Scale EMSL Research

Terrestrial freshwater wetlands are carbon rich environments that play a significant role in the global release of methane to the atmosphere. Our research provides an understanding of how methane…

Functional investigations of cell wall alterations in chemical-evolved E. coli strains

Lead Institution

Technical University of Denmark

Principal Investigator

Rebecca Lennen

Project type

Large-Scale EMSL Research

One of the largest barriers to achieving economical bio-based production of bulk chemicals such as biofuels and polymer precursors is poor tolerance of microbial production hosts toward high…

Microbial controls on climate active trace gas cycling in forest soil ecosystems

Lead Institution

University of British Columbia

Principal Investigator

Steven Hallam

Project type

Large-Scale EMSL Research

Globally, soils store more than double the C in the planet’s atmosphere, and three times the C in aboveground biomass. This large carbon reservoir, stored as soil organic matter (SOM), can be…

Analysis of Mixing States and Morphology of Individual Particles for Improved Representation in Atmospheric Models

Lead Institution

Sonoma Technology

Principal Investigator

Ryan Moffet

Project type

Large-Scale EMSL Research

Atmospheric aerosols affect the climate directly by absorbing and scattering radiation and indirectly by impacting the properties and lifetimes of clouds. Aerosol processes, such as wet removal,…

Ice Nucleation from Fertile Soils: the Role of Organic and Biological Matter

Lead Institution

Georgia Institute of Technology

Principal Investigator

Athanasios Nenes

Project type

Large-Scale EMSL Research

Quantifying aerosol impacts on clouds, precipitation and climate however is very uncertain and strongly impacts assessments of future climate. This large predictive uncertainty in part originates…

Metabolomics of tropical forest soils and changes in response to nitrogen deposition.

Lead Institution

Centro de Investigacion Ecologica y Aplicaciones Forestales (CREAF)

Principal Investigator

Josep Penuelas

Project type

Large-Scale EMSL Research

Tropical forests play a key role for mitigating climate change threats by sequestring anthropogenic carbon and are one of the most sensitive systems for global change scenarios. P is very limited in…

First-principle Studies of Environmental Chemistry

Lead Institution

Los Alamos National Laboratory

Principal Investigator

Enrique Batista

Project type

Large-Scale EMSL Research

The overarching theme of this proposal is the study of chemical interactions in problems of environmental interest. We request supercomputing support from EMSL for two projects focusing on…

Biosystems Analysis for Determining the Impact of Nutrient Uptake on Autotroph-Heterotroph Interactions within Cyanobacterial Consortia

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Stephen Callister

Project type

Large-Scale EMSL Research

The exchange of carbon and other nutrients between microorganisms is a key factor in the establishment of microbial interactions and trophic levels. Depending upon the nutrient, the establishment of…

Understand the Structure Evolution and Solid-Liquid Interface of Electrode Materials in Advanced Li-/Na-ion Batteries and the Effect on Battery Performance

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xiaolin Li

Project type

Large-Scale EMSL Research

The overall goal of this proposal is to investigate the structure evolution and solid-liquid interface of advanced battery materials by integrated ex-situ or in-situ characterization and theoretical…

Uraninite oxidative dissolution at under slightly acidic conditions relevant to the Savannah River Site subsurface: microfluidic and spectroscopic studies

Lead Institution

Clemson University

Principal Investigator

Brian Powell

Project type

Large-Scale EMSL Research

The objective of this work is to utilize the micromodels from EMSL’s Subsurface Flow and Transport Laboratory to evaluate the rate and extent of reductive precipitation and subsequent oxidative…

Uncovering the Physico-Chemical Rules Of Assembly in Grass Cell Wall Architecture that Lead to Enzymatic Recalcitrance via Multi-Dimensional Solid State Nuclear Magnetic Resonance

Lead Institution

Pennsylvania State University

Principal Investigator

Daniel Cosgrove

Project type

Large-Scale EMSL Research

Advanced solid state (ss) NMR methods will be used to elucidate the architecture and arrangement of grass plant cell walls. Our understanding of physical interactions in intact cell walls between…

Atmospheric Brown Carbon Production: Cloud Chamber Experiments on Methylglyoxal, Methylamine, and Ammonium Sulfate Seed Particles in the Presence of Sunlight and Oxidants

Lead Institution

University of San Diego

Principal Investigator

David De Haan

Project type

Large-Scale EMSL Research

The goal of this project is to characterize atmospheric brown carbon production during cloud processing through CESAM cloud/smog chamber simulations involving methylglyoxal, amines, and ammonium…

In-situ TEM Investigation of All-Solid-State Battery Electrodes with Atomic Layer Deposited Interfacial Layers

Lead Institution

University of Michigan

Principal Investigator

Neil Dasgupta

Project type

Large-Scale EMSL Research

The objective of the proposed work is to investigate interfacial phenomena that occur in all-solid-state batteries through in situ transmission electron microscopy (TEM) observations under applied…

Spatial Organization of Methane Oxidation: Rediscovering Fundamentals

Lead Institution

San Diego State University

Principal Investigator

Marina Kalyuzhnaya

Project type

Large-Scale EMSL Research

We rarely think about prokaryotic metabolism as a highly structured system with function-dedicated compartments. It is becoming more apparent that a bag-like representation of microbial metabolism is…

Toward an Improved Understanding of Multiphase Reactions Occurring on Mineral and Soil Dust Aerosol Surfaces

Lead Institution

Indiana University - Bloomington

Principal Investigator

Jonathan Raff

Project type

Large-Scale EMSL Research

Aerosols derived from wind-blown soil represent a significant component of the global aerosol budget that has a large, but uncertain effect on Earth’s climate. These particles are comprised of…

Identification of Protein Redox 'Switches' for Optimized Bioenergy Production in a Purple Nonsulfur Photosynthetic Bacterium

Lead Institution

University of Washington

Principal Investigator

Caroline Harwood

Project type

Large-Scale EMSL Research

Cysteine residues act as thiol-mediated molecular switches that play an important role in redox regulation. Here we propose to use thiol-reactive redox probes for in vivo labeling and identification…