Yaohuang Huang

Evaluating AIQM1 on Reaction Barrier Heights

By Yaohuang Huang Posted on February 10, 2023 Posted in Featured Publication No Comments Tagged with manual, publication

Yuxinxin Chen, Yanchi Ou, Peikun Zheng, Yaohuang Huang, Fuchun Ge, Pavlo Dral*. Benchmark of General-Purpose Machine Learning-Based Quantum Mechanical Method AIQM1 on Reaction Barrier Heights. J. Chem. Phys. 2023, in press. DOI: 10.1063/5.0137101. Blog post ›

A comparative study of diﬀerent machine learning methods for dissipative quantum dynamics

By Yaohuang Huang Posted on October 19, 2022 Posted in Featured Publication No Comments

Luis E. Herrera Rodríguez, Arif Ullah, Kennet J. Rueda Espinosa, Pavlo O. Dral*, Alexei A. Kananenka*. A comparative study of different machine learning methods for dissipative quantum dynamics. Mach. Learn. Sci. Technol. 2022, 3, 045016. DOI: 10.1088/2632-2153/ac9a9d. Blog post ›

Author: Yaohuang Huang

Evaluating AIQM1 on Reaction Barrier Heights

A comparative study of diﬀerent machine learning methods for dissipative quantum dynamics