PEOPLE

SEnior researchers

Sandia National Laboratories
Project Director
Automated chemical kinetics

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

Sandia National Laboratories
Advisor
Applied math; Software development

Argonne National Laboratories
Task Leader
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

KatrÍn Blöndal

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

david Farina

Northeastern University
Graduate Student
Reaction Mechanism Generator for heterogeneous systems

Sevy harris

Northeastern University
Graduate Student
Reaction Mechanism Generator for heterogeneous systems

chao Xu

Northeastern University
Graduate Student
Reaction Mechanism Generator for heterogeneous systems

external advisory board

University of Washington

University of Iceland and Brown University

University of California, Berkeley

Oak Ridge National Laboratory

program manager

past members