Soumen Ghosh | Environmental Molecular Sciences Laboratory

Simulating and Modeling Physicochemical Processes of and Characterizing Complex Matter in Environmental and Biological Systems

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Amity Andersen

The goal of this proposal is to glean fundamental insight from environmentally- and biologically-relevant complex matter structure and physicochemical processes at the electronic, atomistic,…

Theoretical Modeling of Valence and Core Spectroscopies of Molecular and Materials Systems in Complex Environments

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Niranjan Govind

This is a multi-pronged proposal aimed at theoretical development and modeling of a variety of spectroscopies (UV/Vis, XAS, EELS, NMR, EPR, Raman, Mössbauer). This effort will be a combination of…

Valence and Core-Level Excited State and Magnetic Resonance Spectroscopy Studies of Molecules and Materials in Complex Environments

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Niranjan Govind

This is a multi-pronged proposal aimed at theoretical developments and modeling of a variety of spectroscopies (UV/Vis, XAS, EELS, NMR, EPR, Raman), ultrafast electron (de)localization dynamics and…

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…

Valence and Core-Level Excited State Spectroscopy and Dynamics and Magnetic Resonance Spectroscopy Studies of Molecules and Materials in Complex Environments

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Niranjan Govind

This is a multi-pronged proposal aimed at theoretical developments and modeling of a variety of spectroscopies (UV/Vis, XAS, XES, EELS, NMR, EPR, Raman), ultrafast electron (de)localization dynamics…

Modeling and Simulation of Complex Matter in the Environment and in Biological Systems

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Amity Andersen

The goal of this proposal is to develop insight into the complex structure of matter found in environment and biological systems, including structural changes and dynamics that take place when…

Machine Learning Assisted Classification of Ca-Organic Matter Complexation Using X-ray Spectroscopies

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Niranjan Govind

Project type

Exploratory Research

Soils and sediments host large stores of organic carbon, which can be released to the atmosphere upon mineralization. Ca has the potential to play a key role in preventing mineralization of this…

Projects

Simulating and Modeling Physicochemical Processes of and Characterizing Complex Matter in Environmental and Biological Systems

Theoretical Modeling of Valence and Core Spectroscopies of Molecular and Materials Systems in Complex Environments

Valence and Core-Level Excited State and Magnetic Resonance Spectroscopy Studies of Molecules and Materials in Complex Environments

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

Valence and Core-Level Excited State Spectroscopy and Dynamics and Magnetic Resonance Spectroscopy Studies of Molecules and Materials in Complex Environments

Modeling and Simulation of Complex Matter in the Environment and in Biological Systems

Machine Learning Assisted Classification of Ca-Organic Matter Complexation Using X-ray Spectroscopies