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Engineering topics

Shu, Yinan (ORCID:0000000283710221)

Publications and source records attributed to Shu, Yinan (ORCID:0000000283710221).

6 records

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Fitting of Coupled Potential Energy Surfaces via Discovery of Companion Matrices by Machine Intelligence

Not provided.

Chemistry↗

DOE OSTI2024

Generalized Semiclassical Ehrenfest Method: A Route to Wave Function-Free Photochemistry and Nonadiabatic Dynamics with Only Potential Energies and Gradients

Not provided.

Chemistry↗

DOE OSTI2024

Improved Local-Mode Zero-Point-Energy Conservation Scheme for Quasiclassical Trajectories

Not provided.

Chemistry↗

DOE OSTI2024

ANT 2023: A program for adiabatic and nonadiabatic trajectories

Not provided.

Computer Science↗

DOE OSTI2024

Parametrically Managed Activation Functions for Improved Global Potential Energy Surfaces for Six Coupled 5 A ′ States and Fourteen Coupled 3 A ′ States of O + O 2

Not provided.

Chemistry↗

DOE OSTI2023

ChemPotPy : A Python Library for Analytic Representations of Potential Energy Surfaces and Diabatic Potential Energy Matrices

Not provided.

Chemistry↗