Niranjan Govind
Institution
Pacific Northwest National Laboratory
ORCID
Projects
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
Site specific atomic resolution probing of structure-property relationship under dynamic and/or operando conditions using in-situ and ex-situ chemical imaging based on multi-instrument approach
Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Chongmin Wang
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
Rational Design of Solid-Electrolyte Interfaces for Biofuel Production and Energy Storage
Lead Institution
Universitat Rovira i Virgili
Principal Investigator
Josep Poblet
Project type
Large-Scale EMSL Research
Computational Models and Methods for Describing Biogeochemical Transformations of Mercury
Lead Institution
Oak Ridge National Laboratory
Principal Investigator
Jerry Parks
Project type
Exploratory Research
Characterization of Energy Storage Systems Using In Situ and Ex Situ Nuclear Magnetic Resonance Spectroscopy
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Jian-zhi Hu
Project type
Large-Scale EMSL Research
An Experimental and Modeling Investigation of Solidification and Microstructural Evolution in Magnesium Alloys using in situ Techniques
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Aashish Rohatgi
Atomistic simulations of the nitrogen fixation by Mo-dependent nitrogenase
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Simone Raugei
Project type
Large-Scale EMSL Research
Impact of solvent and local chemical environment on the binding of biologically relevant molecules with nanoparticles
Lead Institution
Syracuse University
Principal Investigator
Arindam Chakraborty
Design Criteria for Organic Charge Transporting Materials through Computational Modeling
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Linda Sapochak
Project type
Large-Scale EMSL Research
Experimental and Computational Characterization of the Structure and Electronic Properties of Novel Porphyrins for Solar Cells
Lead Institution
Portland State University
Principal Investigator
Carl Wamser
Project type
Exploratory Research
Atomic Level Investigation of the Phase Stability of Transition Metal Surfaces Under Reactive Environment
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Libor Kovarik
Bio-Inspired Homogeneous Catalysts for Energy Storage and Production
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Molly O'Hagan
Project type
Large-Scale EMSL Research
Investigating Interfacial Interactions in Multivalent Battery Technologies
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Vijayakumar Murugesan
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
Modeling Conduction in Organic-Fullerene and Titania-Fullerene Solar Cells
Lead Institution
University of California, Los Angeles
Principal Investigator
Daniel Neuhauser
Project type
Exploratory Research
Understanding molecular-scale complexity and interactions of soil organic matter
Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Amity Andersen
Predicting solvent mediated preferential ion pairing in ionic solute mixture
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Vijayakumar Murugesan
Project type
Large-Scale EMSL Research
Mapping Electron Flux in Biomimetic Catalysts for Artificial Photosynthesis
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Eric Wiedner
High Accuracy Modeling of Frequency Dependent Polarizabilities: Exploring the Cutting Edge Limits of NWChem
Lead Institution
Lawrence Berkeley National Laboratory
Principal Investigator
Wibe De Jong
Computational and FTIR Spectroscopic Studies of Vibrational and Electronic Properties of Transition Metal Mixed-Valence Complexes in Solution
Lead Institution
University of Washington
Principal Investigator
Munira Khalil
Project type
Exploratory Research
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
Identifying the mechanism of bacterial extracellular electron transfer via conductive pili proteins
Lead Institution
Yale University
Principal Investigator
Nikhil Malvankar
Project type
Exploratory Research
Development of advanced computational methods for molecular level characterization of complex biological, earth, and environmental systems using NWChem
Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Marat Valiev
Accurate Embedded-Cluster Modeling of Insulators: Applications to Metal Oxide Surface Chemistry & Surface Excitation Processes
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Niranjan Govind
Linear-response, real-time electron dynamics & high-level excited-state properties of molecules and materials
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Niranjan Govind
An Experimental and Modeling Investigation of Solidification and Microstructural Evolution in Magnesium Alloys using in situ Techniques
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Aashish Rohatgi
Speciation of trivalent actinides and lanthanides in the ALSEP solvent extraction system
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Tatiana Levitskaia
Project type
Exploratory Research
Development of Computational Chemistry Tools for Aerosol Chemistry and Molecular-Level Characterization of Secondary Organic Aerosol particles
Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Edoardo Apra
Coupling Experiments with Theory: Effect of Size and Topography on Structural Dynamics and Energetic Reactions of Metal Oxides
Lead Institution
CNRS
Principal Investigator
Slavica Stankic
Project type
Large-Scale EMSL Research
Resonant X-ray spectroscopy of molecules and molecular assemblies using STEX and TDDFT
Lead Institution
University of California, Irvine
Principal Investigator
Shaul Mukamel
Project type
Exploratory Research
Mesoscale Quantum Chemistry - Benchmarking, Parameterization and Application to Biomass Pyrolysis
Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Donald Baer
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
Modeling and Simulation of Complex Matter in the Environment and in Biological Systems
Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Amity Andersen
Combined Theoretical and Experimental Studies of Laser Desorption from Metal Oxide Surfaces
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Petr Sushko
Project type
Large-Scale EMSL Research
Ab Initio Calculations of Charge Carrier Properties and Excited-State Processes in Scintillator Materials: Advanced Materials and Scintillation Mechanisms
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Renee Van Ginhoven
Project type
Exploratory Research
First-Principles Calculations of Excited-State Processes in Scintillator Materials
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Sebastien Kerisit
Project type
Exploratory Research
Computational Studies of Complex Matter in the Environment
Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Amity Andersen
Mapping Electron Flux in Biomimetic Catalysts for Artificial Photosynthesis
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Eric Wiedner
Fine-Tuning Ambipolar Charge-Transport Properties of Organic Materials By Computational Design
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Asanga Padmaperuma
Project type
Exploratory Research
Modeling valence and core-level spectra of molecules and materials via linear-response and real-time TDDFT
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Niranjan Govind
Advancing Heterogeneous Catalysis of Routes for the Conversion of Complex Biogenic Feedstocks in Aqueous and Apolar Solvents
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Donald Camaioni
Project type
Large-Scale EMSL Research
Atmospheric Soil Organic Particles
Lead Institution
Purdue University
Principal Investigator
Alexander Laskin
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
(gc3564)Nanostructure Formation, Aggregation, and Reactivity
Lead Institution
Argonne National Laboratory
Principal Investigator
Larry Curtiss
Project type
Capability Research
First-principles modeling of charge transfer in fullerene organic photovoltaics
Lead Institution
University of California, Los Angeles
Principal Investigator
Daniel Neuhauser
Project type
Exploratory Research
Atomistic View of Evolution and Reactivity of Polysulfide Redox Species in Li-S Batteries
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Karl Mueller
Project type
Large-Scale EMSL Research
Quantum Chemical Investigations of Abiotic Dimethylmercury Formation
Lead Institution
Oak Ridge National Laboratory
Principal Investigator
Jerry Parks
Project type
Limited Scope
Computational Valence, Core and Magnetic Spectroscopies and Dynamics Studies of Molecules in Complex Environments
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Niranjan Govind
Modeling defect- and interface-induced rapid decomposition of molecular materials
Lead Institution
University of Maryland, College Park
Principal Investigator
Maija Kukla
Project type
Exploratory Research