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The last 5 uploaded publications
Parametrically Managed Activation Functions for Improved Global Potential Energy Surfaces for Six Coupled <sup>5</sup><i>A</i>′ States and Fourteen Coupled <sup>3</sup><i>A</i>′ States of O + O<sub>2</sub>
Yinan Shu, Farideh Badichi Akher, Hua Guo, Donald G Truhlar (2024). Parametrically Managed Activation Functions for Improved Global Potential Energy Surfaces for Six Coupled <sup>5</sup><i>A</i>′ States and Fourteen Coupled <sup>3</sup><i>A</i>′ States of O + O<sub>2</sub>. , 128(7), DOI: https://doi.org/10.1021/acs.jpca.3c06823.
Article16 days agoParametrically Managed Activation Function for a Fitting a Neural Network Potential with Physical Behavior Enforced by a Low-Dimensional Potential
Farideh Badichi Akher, Yinan Shu, Zoltán M. Varga, Suman Bhaumik, Donald G Truhlar (2023). Parametrically Managed Activation Function for a Fitting a Neural Network Potential with Physical Behavior Enforced by a Low-Dimensional Potential. , DOI: https://doi.org/10.26434/chemrxiv-2023-0cwdz-v2.
Preprint16 days agoPost-Activation Function for Managing the Behavior of a Neural Network Potential with a Low-Dimensional Potential
Farideh Badichi Akher, Yinan Shu, Zoltán M. Varga, Suman Bhaumik, Donald G Truhlar (2023). Post-Activation Function for Managing the Behavior of a Neural Network Potential with a Low-Dimensional Potential. , DOI: https://doi.org/10.26434/chemrxiv-2023-0cwdz.
Preprint16 days agoSemiclassical Multistate Dynamics for Six Coupled <sup>5</sup><i>A</i>′ States of O + O<sub>2</sub>
Farideh Badichi Akher, Yinan Shu, Zoltán Varga, Donald G Truhlar (2023). Semiclassical Multistate Dynamics for Six Coupled <sup>5</sup><i>A</i>′ States of O + O<sub>2</sub>. , 19(14), DOI: https://doi.org/10.1021/acs.jctc.3c00517.
Article16 days agoParametrically Managed Activation Function for Fitting a Neural Network Potential with Physical Behavior Enforced by a Low-Dimensional Potential
Farideh Badichi Akher, Yinan Shu, Zoltán Varga, Suman Bhaumik, Donald G Truhlar (2023). Parametrically Managed Activation Function for Fitting a Neural Network Potential with Physical Behavior Enforced by a Low-Dimensional Potential. , 127(24), DOI: https://doi.org/10.1021/acs.jpca.3c02627.
Article16 days ago