PEOPLE
SEnior researchers
Habib N. Najm
Sandia National Laboratories
Deputy Director
Kinetic Monte Carlo simulations; Computations Singular Perturbation; Sensitivity analysis
Sandia National Laboratories
Task Leader
Scientific machine learning; Adsorbate thermochemistry
Argonne National Laboratories
Task Leader
Adsorbate thermochemistry ; Automated kinetics; Exascale readiness
Pacific Northwest National Laboratory
Task Leader
Plane wave density function theory; Beyond density functional theory developments; Molecular dynamics
Brown University
Task Leader
Adsorbate thermochemistry; Reaction Mechanism Generator for heterogeneous systems
Northeastern University
Task Leader
Reaction Mechanism Generator for heterogeneous systems; Sensitivity analysis; Kinetic modeling
students and postdocs
Craig J. Daniels
Sandia National Laboratories
Postdoc
Kinetic Monte Carlo simulations; Software development
Oscar H. Diaz-ibarra
Sandia National Laboratories
Postdoc
Computational Singular Perturbation; Software development; Kokkos integration; Reactor modeling
Matthew S. Johnson
Sandia National Laboratories
Postdoc
Automated Chemical Kinetics; Software Development
Shinae Kim
Sandia National Laboratories
Postdoc
Automated Chemical Kinetics; Software Development
Joy N. Mueller
Sandia National Laboratories
Postdoc
Scientific machine learning; Uncertainty quantification in kinetic Monte Carlo
Kirk badger
Brown University
Graduate Student
Adsorbate thermochemistry; Reaction Mechanism Generator for heterogeneous systems
bjarne kreitz
Brown University
Postdoc
Adsorbate thermochemistry; Coverage dependence
Christopher blais
Northeastern University
Graduate Student
Reaction Mechanism Generator for heterogeneous systems; Kinetic modeling
Sevy harris
Northeastern University
Graduate Student
Reaction Mechanism Generator for heterogeneous systems
chao Xu
Northeastern University
Graduate Student
Reaction Mechanism Generator for heterogeneous systems
Trevor D. Price
University of California at Davis
SCGSR Fellow
Microkinetic model development using RMG and Pynta
external advisory board
program manager
Program Manager for Computational and Theoretical Chemistry at US DOE.