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; Computational Singular Perturbation

Khachik Sargsyan

Sandia National Laboratories
Task Leader
Scientific machine learning; Adsorbate thermochemistry; Uncertainty quantification

Eric J. Bylaska

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

Branko Ruscic

Argonne National Laboratories
Task Leader
Adsorbate thermochemistry

David H. Bross

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

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

researchers

Duo song

Pacific Northwest National Laboratory
COVOs; Beyond DFT development

students and postdocs

Craig J. Daniels

Sandia National Laboratories
Postdoc
Kinetic Monte Carlo simulations; Software development

Matthew S. Johnson

Sandia National Laboratories
Postdoc
Automated Chemical Kinetics; Software Development

Shinae Kim

Sandia National Laboratories
Postdoc
Automated Chemical Kinetics; Software Development

Trevor D. Price

University of California at Davis
Graduate Student in the Kulkarni Group
SCGSR Fellow and Sandia
Microkinetic model development using RMG and Pynta; Machine learning