Computational Fluorocarbon Chemistry, Catalysis
Lead Institution
DuPont
Principal Investigator
Bruce Smart
Project type
Exploratory Research
Microbial Adhesion and Geochemical Surface Reactions
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Herman Cho
Project type
Exploratory Research
High Performance Computational Chemistry
Lead Institution
University of Utah
Principal Investigator
Julio Facelli
Project type
Exploratory Research
Density Functional Theory
Lead Institution
Oxford Molecular
Principal Investigator
Mark Stave
Project type
Exploratory Research
Excited State Density Functional Theory
Lead Institution
University of Pittsburgh
Principal Investigator
Kenneth Jordan
Project type
Exploratory Research
Electronic Structure of Transition Metal Complexes
Lead Institution
Texas A&M University
Principal Investigator
Michael Hall
Project type
Exploratory Research
Electronic Excitations in Networked Oxides
Lead Institution
University of Iceland
Principal Investigator
Hannes Jonsson
Project type
Exploratory Research
Ab Initio Dynamics of Reactions in Solution
Lead Institution
Hiroshima University
Principal Investigator
Misako Aida
Project type
Exploratory Research
Mixed Hamiltoniam Methods
Lead Institution
The University of Tokyo
Principal Investigator
Kimihiko Hirao
Project type
Exploratory Research
Developing a Parallel Blochl Code
Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Marat Valiev
Project type
Exploratory Research
Developing a Parallel Blochl Code
Lead Institution
Environmental Molecular Sciences Laboratory
Principal Investigator
Marat Valiev
Project type
Exploratory Research
Post Growth Analysis of GaN Grown with Low Temperature MOCVD
Lead Institution
Lawrence Berkeley National Laboratory
Principal Investigator
Michael Johnson
Project type
Exploratory Research
Post Growth Analysis of GaN and InGaN Grown with MOCVD
Lead Institution
University of Washington
Principal Investigator
Tai-Chang Chen
Project type
Exploratory Research
Characterization of PZT/PLZT Multilayers
Lead Institution
Washington State University
Principal Investigator
David Bahr
Project type
Exploratory Research
Direct Implemientations of Electron Propogators
Lead Institution
Kansas State University
Principal Investigator
J Vincent Ortiz
Project type
Exploratory Research
Formulation and Implementation of AO Based Methods which Include High Correlation
Lead Institution
University of Utah
Principal Investigator
Jack Simons
Project type
Exploratory Research
Multiscale Design of Advanced
Materials based on Hybrid Ab-Initio
and Quasicontinuum Methods
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Eric Bylaska
Project type
Exploratory Research
X-ray Photoemission Study of Graphite
Lead Institution
UCAR Carbon Company Inc.
Principal Investigator
Samina Azad
Project type
Exploratory Research
Molecular Recognition at the Electronic Level
Lead Institution
University of Nebraska - Lincoln
Principal Investigator
John Stezowski
Project type
Exploratory Research
The biogeochemical mechanisms controlling reduced radionuclide particle formation properties and stability.
Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Matthew Marshall
Project type
Exploratory Research