PEOPLE

SEnior researchers

Judit zádor

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

Khachik Sargsyan

Sandia National Laboratories
Task Leader
Scientific machine learning; Adsorbate thermochemistry

Cosmin Safta

Sandia National Laboratories
Advisor
Applied math; Software development

Branko Ruscic

Argonne National Laboratories
Task Leader
Adsorbate thermochemistry

David H. Bross

Argonne National Laboratories
Task Leader
Adsorbate thermochemistry ; Automated kinetics; Exascale readiness

Eric J. Bylaska

Pacific Northwest National Laboratory
Task Leader
Plane wave density function theory; Beyond density functional theory developments; Molecular dynamics

C. Franklin Goldsmith

Brown University
Task Leader
Adsorbate thermochemistry; Reaction Mechanism Generator for heterogeneous systems

Richard H. West

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