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The Journal of Physical Chemistry. A
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April 14, 2025
Accurate and Affordable Simulation of Molecular Infrared Spectra with AIQM Models
Yi-Fan Hou, Cheng Wang, Pavlo O Dral
The Journal of Organic Chemistry
|
October 3, 2024
Surprising Dynamics Phenomena in the Diels-Alder Reaction of C<sub>60</sub> Uncovered with AI
Yi-Fan Hou, Quanhao Zhang, Pavlo O Dral
Journal of Chemical Theory and Computation
|
April 6, 2023
Explicit Learning of Derivatives with the KREG and pKREG Models on the Example of Accurate Representation of Molecular Potential Energy Surfaces
Yi-Fan Hou, Fuchun Ge, Pavlo O Dral
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2023
Energy-conserving molecular dynamics is not energy conserving
Lina Zhang, Yi-Fan Hou, Fuchun Ge, et al.
Journal of Chemical Theory and Computation
|
September 12, 2024
Physics-Informed Active Learning for Accelerating Quantum Chemical Simulations
Yi-Fan Hou, Lina Zhang, Quanhao Zhang, et al.
Journal of Chemical Theory and Computation
|
February 14, 2026
AIQM3: Targeting Coupled-Cluster Accuracy with Semi-Empirical Speed across Seven Main-Group Elements
Yuxinxin Chen, Yi-Fan Hou, Roman Zubatyuk, et al.
Journal of Bioinformatics and Computational Biology
|
December 23, 2021
EdClust: A heuristic sequence clustering method with higher sensitivity
Ming Cao, Qinke Peng, Ze-Gang Wei, et al.
The Journal of Physical Chemistry Letters
|
August 22, 2023
Four-Dimensional-Spacetime Atomistic Artificial Intelligence Models
Fuchun Ge, Lina Zhang, Yi-Fan Hou, et al.
The Journal of Physical Chemistry Letters
|
January 3, 2025
ANI-1ccx-gelu Universal Interatomic Potential and Its Fine-Tuning: Toward Accurate and Efficient Anharmonic Vibrational Frequencies
Seyedeh Fatemeh Alavi, Yuxinxin Chen, Yi-Fan Hou, et al.
The Journal of Physical Chemistry Letters
|
November 3, 2025
A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors
Jakub Martinka, Lina Zhang, Yi-Fan Hou, et al.
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Search research articles
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Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. A
|
April 14, 2025
Accurate and Affordable Simulation of Molecular Infrared Spectra with AIQM Models
Yi-Fan Hou, Cheng Wang, Pavlo O Dral
The Journal of Organic Chemistry
|
October 3, 2024
Surprising Dynamics Phenomena in the Diels-Alder Reaction of C<sub>60</sub> Uncovered with AI
Yi-Fan Hou, Quanhao Zhang, Pavlo O Dral
Journal of Chemical Theory and Computation
|
April 6, 2023
Explicit Learning of Derivatives with the KREG and pKREG Models on the Example of Accurate Representation of Molecular Potential Energy Surfaces
Yi-Fan Hou, Fuchun Ge, Pavlo O Dral
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2023
Energy-conserving molecular dynamics is not energy conserving
Lina Zhang, Yi-Fan Hou, Fuchun Ge, et al.
Journal of Chemical Theory and Computation
|
September 12, 2024
Physics-Informed Active Learning for Accelerating Quantum Chemical Simulations
Yi-Fan Hou, Lina Zhang, Quanhao Zhang, et al.
Journal of Chemical Theory and Computation
|
February 14, 2026
AIQM3: Targeting Coupled-Cluster Accuracy with Semi-Empirical Speed across Seven Main-Group Elements
Yuxinxin Chen, Yi-Fan Hou, Roman Zubatyuk, et al.
Journal of Bioinformatics and Computational Biology
|
December 23, 2021
EdClust: A heuristic sequence clustering method with higher sensitivity
Ming Cao, Qinke Peng, Ze-Gang Wei, et al.
The Journal of Physical Chemistry Letters
|
August 22, 2023
Four-Dimensional-Spacetime Atomistic Artificial Intelligence Models
Fuchun Ge, Lina Zhang, Yi-Fan Hou, et al.
The Journal of Physical Chemistry Letters
|
January 3, 2025
ANI-1ccx-gelu Universal Interatomic Potential and Its Fine-Tuning: Toward Accurate and Efficient Anharmonic Vibrational Frequencies
Seyedeh Fatemeh Alavi, Yuxinxin Chen, Yi-Fan Hou, et al.
The Journal of Physical Chemistry Letters
|
November 3, 2025
A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors
Jakub Martinka, Lina Zhang, Yi-Fan Hou, et al.
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of 2