Search research articles
Contact Us
Filters
Showing results (1-10 of 15) with videos related to
Page
of 2
Sort By:
The Journal of Chemical Physics
|
May 24, 2019
Explicit time integration of the stiff chemical Langevin equations using computational singular perturbation
Xiaoying Han, Mauro Valorani, Habib N Najm
The Journal of Physical Chemistry. A
|
March 1, 2024
Evaluation of Rate Coefficients in the Gas Phase Using Machine-Learned Potentials
Carles Martí, Christian Devereux, Habib N Najm, et al.
The Journal of Chemical Physics
|
August 23, 2024
Adaptive tau-leaping methods for microscopic-lattice kinetic Monte Carlo simulations
Tianshi Che, Yang Zhou, Xiaoying Han, et al.
Journal of Chemical Information and Modeling
|
April 12, 2023
Multifidelity Neural Network Formulations for Prediction of Reactive Molecular Potential Energy Surfaces
Yoona Yang, Michael S Eldred, Judit Zádor, et al.
Journal of Chemical Theory and Computation
|
March 9, 2026
KinCat: Kinetic Monte Carlo Parallel Computations of Surface Kinetics in Heterogeneous Catalysis
Craig Daniels, Nathan V Roberts, Kyungjoo Kim, et al.
Journal of Chemical Theory and Computation
|
October 16, 2019
Accelerated Saddle Point Refinement through Full Exploitation of Partial Hessian Diagonalization
Eric D Hermes, Khachik Sargsyan, Habib N Najm, et al.
The Journal of Chemical Physics
|
September 9, 2021
Geometry optimization speedup through a geodesic approach to internal coordinates
Eric D Hermes, Khachik Sargsyan, Habib N Najm, et al.
The Journal of Physical Chemistry. A
|
February 21, 2023
Comprehensive Kinetics on the C<sub>7</sub>H<sub>7</sub> Potential Energy Surface under Combustion Conditions
Carles Martí, Hope A Michelsen, Habib N Najm, et al.
Journal of Chemical Theory and Computation
|
October 18, 2022
Sella, an Open-Source Automation-Friendly Molecular Saddle Point Optimizer
Eric D Hermes, Khachik Sargsyan, Habib N Najm, et al.
International Journal for Uncertainty Quantification
|
June 25, 2026
EMBEDDED NONLOCAL OPERATOR REGRESSION (ENOR): QUANTIFYING MODEL ERROR IN LEARNING NONLOCAL OPERATORS
Yiming Fan, Habib N Najm, Yue Yu, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
May 24, 2019
Explicit time integration of the stiff chemical Langevin equations using computational singular perturbation
Xiaoying Han, Mauro Valorani, Habib N Najm
The Journal of Physical Chemistry. A
|
March 1, 2024
Evaluation of Rate Coefficients in the Gas Phase Using Machine-Learned Potentials
Carles Martí, Christian Devereux, Habib N Najm, et al.
The Journal of Chemical Physics
|
August 23, 2024
Adaptive tau-leaping methods for microscopic-lattice kinetic Monte Carlo simulations
Tianshi Che, Yang Zhou, Xiaoying Han, et al.
Journal of Chemical Information and Modeling
|
April 12, 2023
Multifidelity Neural Network Formulations for Prediction of Reactive Molecular Potential Energy Surfaces
Yoona Yang, Michael S Eldred, Judit Zádor, et al.
Journal of Chemical Theory and Computation
|
March 9, 2026
KinCat: Kinetic Monte Carlo Parallel Computations of Surface Kinetics in Heterogeneous Catalysis
Craig Daniels, Nathan V Roberts, Kyungjoo Kim, et al.
Journal of Chemical Theory and Computation
|
October 16, 2019
Accelerated Saddle Point Refinement through Full Exploitation of Partial Hessian Diagonalization
Eric D Hermes, Khachik Sargsyan, Habib N Najm, et al.
The Journal of Chemical Physics
|
September 9, 2021
Geometry optimization speedup through a geodesic approach to internal coordinates
Eric D Hermes, Khachik Sargsyan, Habib N Najm, et al.
The Journal of Physical Chemistry. A
|
February 21, 2023
Comprehensive Kinetics on the C<sub>7</sub>H<sub>7</sub> Potential Energy Surface under Combustion Conditions
Carles Martí, Hope A Michelsen, Habib N Najm, et al.
Journal of Chemical Theory and Computation
|
October 18, 2022
Sella, an Open-Source Automation-Friendly Molecular Saddle Point Optimizer
Eric D Hermes, Khachik Sargsyan, Habib N Najm, et al.
International Journal for Uncertainty Quantification
|
June 25, 2026
EMBEDDED NONLOCAL OPERATOR REGRESSION (ENOR): QUANTIFYING MODEL ERROR IN LEARNING NONLOCAL OPERATORS
Yiming Fan, Habib N Najm, Yue Yu, et al.
Page
of 2