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Publication	Type	Year
Studying the Computational Performance of CSP Analysis on Heterogeneous Computing Platforms 18th International Conference on Numerical Combustion. Oscar Homero Diaz-Ibarra, Kyungjoo Kim, Cosmin Safta, Habib N. Najm	Conference Presentation – 2022 Conference Presentation	2022
A Neural Network Based Model for Reactive Heavy Hydrocarbon Potential Energy Surfaces 18th International Conference on Numerical Combustion Yoona NMN Yang, Habib N. Najm, Judit Zador, Michael S. Eldred	Conference Presentation – 2022 Conference Presentation	2022
Machine learning the C5H5 potential energy surface Unimolecular reactions Faraday Discussion Yoona NMN Yang, Carles Marti Aliod, Michael S. Eldred, Judit Zador, Habib N. Najm	Abstract – 2022 Abstract	2022
A neural network based model for reactive heavy hydrocarbon potential energy surfaces 18th International Conference on Numerical Combustion \| The Combustion Institute Yoona NMN Yang, Habib N. Najm, Judit Zador, Michael S. Eldred	Abstract – 2022 Abstract	2022
Studying the Computational Performance of CSP Analysis on Heterogeneous Computing Platforms 18th International Conference on Numerical Combustion Oscar Homero Diaz-Ibarra, Kyungjoo Kim, Cosmin Safta, Habib N. Najm	Abstract – 2022 Abstract	2022
CSPlib - A Toolkit for the Analysis of ODE/DAE Dynamical Systems and Chemical Kinetic Models Oscar Homero Diaz-Ibarra, Kyungjoo Kim, Cosmin Safta, Habib N. Najm https://www.osti.gov/search/identifier:1855067	SAND Report – 2021 SAND Report	2021
Surrogate models and physics constraints in atomistic modeling RAMSESReduced order models; Approximation theory; Machine learning; Surrogates, Emulators and Simulators Habib N. Najm, Yoona NMN Yang, Judit Zador, Michael S. Eldred	Conference Presentation – 2021 Conference Presentation	2021
TChem v3.0 - A Software Toolkit for the Analysis of Complex Kinetic Models Cosmin Safta, Habib N. Najm, Oscar Homero Diaz-Ibarra, Kyungjoo Kim https://www.osti.gov/search/identifier:1829197	SAND Report – 2021 SAND Report	2021
Using computational singular perturbation as a diagnostic tool in ODE and DAE systems: a case study in heterogeneous catalysis Combustion Theory and Modelling Oscar Homero Diaz-Ibarra, Kyungjoo Kim, Cosmin Safta, Judit Zador, Habib N. Najm https://www.osti.gov/search/identifier:1834151	Journal Article – 2021 Journal Article	2021
Exascale Catalytic Chemistry (ECC) EFRC-Hub-CMS-CCS PI Meeting Habib N. Najm, Khachik Sargsyan, Kyungjoo Kim, C. Franklin Goldsmith, Richard H. West, Eric J. Bylaska, David H. Bross, Branko Ruscic, Cosmin Safta, Judit Zador, Christopher Blais, Katrn Blndal, Oscar Homero Diaz-Ibarra, Eric Hermes, Emily Mazeau	Conference Poster – 2021 Conference Poster	2021
Automatic Generation And Analysis Of Microkinetic Models Virtual EFRC-Hub-CMS-CCS PI Meeting Blais Christopher, Oscar Homero Diaz-Ibarra, Emily Mazeau, Maciej Gierada, Eric Hermes, Cosmin Safta, Kyungjoo Kim, Habib N. Najm, Eric J. Bylaska, Judit Zador, C. Franklin Goldsmith, Richard H. West	Conference Presentation – 2021 Conference Presentation	2021
ECC Abstracts for the EFRC-Hub-CMS-CCS PI Meeting EFRC-Hub-CMS-CCS PI Meeting Habib N. Najm, Khachik Sargsyan, Kyungjoo Kim, C. Franklin Goldsmith, Richard H. West, Eric J. Bylaska, David H. Bross, Branko Ruscic, Cosmin Safta, Judit Zador, Katrn Blndal, Chris Blais, Oscar Homero Diaz-Ibarra, Emily Mazeau, Maciej Gierada, Eric Hermes, Abhishek Bagusetty, Duo Song	Abstract – 2021 Abstract	2021
Exascale Catalytic Chemistry (ecc) Project DOE CTC PI Meeting Habib N. Najm, Khachik Sargsyan, Kyungjoo Kim, C. Franklin Goldsmith, Richard H. West, Eric J. Bylaska, David H. Bross, Branko Ruscic, Cosmin Safta, Judit Zador	Abstract – 2021 Abstract	2021
TChem ? An Open Source Computational Chemistry Software Library for Heterogeneous Computing Platforms 12th US National Combustion Meeting Cosmin Safta, Oscar Homero Diaz-Ibarra, Kyungjoo Kim, Habib N. Najm	Conference Presentation – 2021 Conference Presentation	2021
TChem - An Open Source Computational Chemistry Software Library for Heterogenous Computing Platforms US National Combustion Meeting Cosmin Safta, Oscar Homero Diaz-Ibarra, Habib N. Najm, Kyungjoo Kim https://www.osti.gov/search/identifier:1862775	Conference Paper – 2021 Conference Paper	2021
CSPlib - A Software Toolkit for the Analysis of Dynamical Systems and Chemical Kinetic Models Oscar Homero Diaz-Ibarra, Kyungjoo Kim, Cosmin Safta, Habib N. Najm https://www.osti.gov/search/identifier:1810242	SAND Report – 2021 SAND Report	2021
TChem v2.0 - A Software Toolkit for the Analysis of Complex Kinetic Models Cosmin Safta, Kyungjoo Kim, Oscar Homero Diaz-Ibarra, Habib N. Najm https://www.osti.gov/search/identifier:1688569	SAND Report – 2020 SAND Report	2020
Ecc: Exascale Computational Catalysis 2020 Computational and Theoretical Chemistry Research PI Meeting David H. Bross, Eric J Bylaska, C. Franklin Goldsmith, Kyungjoo Kim, Habib N. Najm, Eric T. Phipps, Branko Ruscic, Cosmin Safta, Khachik Sargsyan, Christian Robert Trott, Richard H. West, Judit Zador	Abstract – 2020 Abstract	2020
Exascale Catalytic Chemistry (ECC) Research Center 17th international conference on catalysis Katrin Blondal, David H. Bross, Eric J. Bylaska, C. Franklin Goldsmith, Eric Hermes, Kyungjoo Kim, Emily Mazeau, Habib N. Najm, Branko Ruscic, Cosmin Safta, Khachik Sargsyan, Richard H. West, Judit Zador	Abstract – 2019 Abstract	2019
Uncertainty Quantification in Computational Models of Large Scale Physical Systems US National Congress on Computational Mechanics Habib N. Najm, Cosmin Safta, Xun Huan, Tiernan Albert Casey, Khachik Sargsyan, Joseph Oefelein, Guilhem Lacaze, Zachary Vane, Michael S. Eldred, Gianluca Geraci https://www.osti.gov/search/identifier:1641505	Conference Paper – 2019 Conference Paper	2019
Uncertainty Quantification in Large Scale Computational Models International Congress on Industrial and Applied Mathematics Habib N. Najm, Cosmin Safta, Xun Huan, Tiernan Albert Casey, Khachik Sargsyan, Joseph Oefelein, Guilhem Lacaze, Michael S. Eldred, Gianluca Geraci https://www.osti.gov/search/identifier:1641089	Conference Paper – 2019 Conference Paper	2019
FASTMath: UQ Algorithms SciDAC PI Meeting 2019 Tiernan Albert Casey, Bert Debusschere, Michael S. Eldred, Gianluca Geraci, Roger Ghanem, John Davis Jakeman, Youssef Marzouk, Habib N. Najm, Cosmin Safta, Khachik Sargsyan https://www.osti.gov/search/identifier:1641088	Conference Paper – 2019 Conference Paper	2019
Ecc: Exascale Computational Catalysis CTC contractors' meeting David H. Bross, Eric J. Bylaska, C. Franklin Goldsmith, Kyungjoo Kim, Habib N. Najm, Eric T. Phipps, Cosmin Safta, Khachik Sargsyan, Christian Robert Trott, Richard H. West, Judit Zador	Abstract – 2019 Abstract	2019
Progress in Scramjet Design Optimization Under Uncertainty Using Simulations of the HIFire Configuration AIAA Scitech Forum 2019 Gianluca Geraci, Friedrich Menhorn, Xun Huan, Cosmin Safta, Youssef Marzouk, Habib N. Najm, Michael S. Eldred https://www.osti.gov/search/identifier:1582123	Conference Paper – 2019 Conference Paper	2019
Design Optimization under Uncertainty in Large Scale Computational Models Invited seminar at SpaceX Habib N. Najm, Roger G. Ghanem, Michael S. Eldred https://www.osti.gov/search/identifier:1594692	Conference Paper – 2018 Conference Paper	2018
Document Title	Type	Year

Results 1–25 of 57

Publications

Studying the Computational Performance of CSP Analysis on Heterogeneous Computing Platforms

A Neural Network Based Model for Reactive Heavy Hydrocarbon Potential Energy Surfaces

Machine learning the C5H5 potential energy surface

A neural network based model for reactive heavy hydrocarbon potential energy surfaces

Studying the Computational Performance of CSP Analysis on Heterogeneous Computing Platforms

CSPlib - A Toolkit for the Analysis of ODE/DAE Dynamical Systems and Chemical Kinetic Models

Surrogate models and physics constraints in atomistic modeling

TChem v3.0 - A Software Toolkit for the Analysis of Complex Kinetic Models

Using computational singular perturbation as a diagnostic tool in ODE and DAE systems: a case study in heterogeneous catalysis

Exascale Catalytic Chemistry (ECC)

Automatic Generation And Analysis Of Microkinetic Models

ECC Abstracts for the EFRC-Hub-CMS-CCS PI Meeting

Exascale Catalytic Chemistry (ecc) Project

TChem ? An Open Source Computational Chemistry Software Library for Heterogeneous Computing Platforms

TChem - An Open Source Computational Chemistry Software Library for Heterogenous Computing Platforms

CSPlib - A Software Toolkit for the Analysis of Dynamical Systems and Chemical Kinetic Models

TChem v2.0 - A Software Toolkit for the Analysis of Complex Kinetic Models

Ecc: Exascale Computational Catalysis

Exascale Catalytic Chemistry (ECC) Research Center

Uncertainty Quantification in Computational Models of Large Scale Physical Systems

Uncertainty Quantification in Large Scale Computational Models

FASTMath: UQ Algorithms

Ecc: Exascale Computational Catalysis

Progress in Scramjet Design Optimization Under Uncertainty Using Simulations of the HIFire Configuration

Design Optimization under Uncertainty in Large Scale Computational Models