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6 results in Authors: Fuchun Ge

Theoretical and Computational Chemistry

Towards Accurate and Efficient Anharmonic Vibrational Frequencies with the Universal Interatomic Potential ANI-1ccx-gelu and Its Fine-Tuning

Seyedeh Fatemeh Alavi, Yuxinxin Chen, Yi-Fan Hou, Fuchun Ge, Peikun Zheng, Pavlo O. Dral

Version 1 posted 09 October 2024

152

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Theoretical and Computational Chemistry

Charting electronic-state manifolds across molecules with multi-state learning and gap-driven dynamics via efficient and robust active learning

Mikołaj Martyka, Lina Zhang, Fuchun Ge, Yi-Fan Hou, Joanna Jankowska, Mario Barbatti, Pavlo O. Dral

Version 2 posted 17 September 2024

317

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Theoretical and Computational Chemistry

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

Version 1 posted 20 October 2022

418

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1

Citations

Materials Chemistry

Interpretable Machine Learning of Two-Photon Absorption

Yuming Su, Yiheng Dai, Yifan Zeng, Caiyun Wei, Yangtao Chen, Fuchun Ge, Peikun Zheng, Da Zhou, Pavlo O. Dral, Cheng Wang

Version 2 posted 22 August 2022

494

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Theoretical and Computational Chemistry

Four-dimensional spacetime atomistic artificial intelligence models

Fuchun Ge, Lina Zhang, Arif Ullah, Pavlo O. Dral

Version 1 posted 17 March 2022

457

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3

Citations

Physical Chemistry

Choosing the right molecular machine learning potential

Max Pinheiro Jr, Fuchun Ge, Nicolas Ferré, Pavlo O. Dral, Mario Barbatti

Version 1 posted 16 August 2021

912

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