Yi-Fan Hou

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 12

Top Topics

Machine Learning

High Efficiency

Molecular Dynamics

Acute Lymphoblastic Leukemia

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

Topics in current chemistry (Cham)

This page only lists publications with an associated author ORCID identifier.

Publications

Pavlo O Dral, Fuchun Ge, Yi-Fan Hou, Peikun Zheng, Yuxinxin Chen, Mario Barbatti, Oleksandr Isaev, Cheng Wang, Bao-Xin Xue, Max Pinheiro Júnior, Yuming Su, Yiheng Dai, Yangtao Chen, Lina Zhang, Shuang Zhang, Arif Ullah, Quanhao Zhang, Yanchi Ou
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows. Journal of chemical theory and computation (2024)
Pavlo O Dral, Fuchun Ge, Yi-Fan Hou, Peikun Zheng, Yuxinxin Chen, Mario Barbatti, Oleksandr Isaev, Cheng Wang, Bao-Xin Xue, Max Pinheiro Júnior, Yuming Su, Yiheng Dai, Yangtao Chen, Lina Zhang, Shuang Zhang, Arif Ullah, Quanhao Zhang, Yanchi Ou
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows. Journal of chemical theory and computation 20 (3) (2024)
Pavlo O Dral, Fuchun Ge, Yi-Fan Hou, Peikun Zheng, Yuxinxin Chen, Mario Barbatti, Oleksandr Isaev, Cheng Wang, Bao-Xin Xue, Max Pinheiro Júnior, Yuming Su, Yiheng Dai, Yangtao Chen, Lina Zhang, Shuang Zhang, Arif Ullah, Quanhao Zhang, Yanchi Ou
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows. Journal of chemical theory and computation (2024)
Lina Zhang, Sebastian V Pios, Mikołaj Martyka, Fuchun Ge, Yi-Fan Hou, Yuxinxin Chen, Lipeng Chen, Joanna Jankowska, Mario Barbatti, Pavlo O Dral
MLatom Software Ecosystem for Surface Hopping Dynamics in Python with Quantum Mechanical and Machine Learning Methods. Journal of chemical theory and computation (2024)
Lina Zhang, Sebastian V Pios, Mikołaj Martyka, Fuchun Ge, Yi-Fan Hou, Yuxinxin Chen, Lipeng Chen, Joanna Jankowska, Mario Barbatti, Pavlo O Dral
MLatom Software Ecosystem for Surface Hopping Dynamics in Python with Quantum Mechanical and Machine Learning Methods. Journal of chemical theory and computation 20 (12) (2024)
Pavlo O Dral, Fuchun Ge, Yi-Fan Hou, Peikun Zheng, Yuxinxin Chen, Mario Barbatti, Oleksandr Isaev, Cheng Wang, Bao-Xin Xue, Max Pinheiro Júnior, Yuming Su, Yiheng Dai, Yangtao Chen, Lina Zhang, Shuang Zhang, Arif Ullah, Quanhao Zhang, Yanchi Ou
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows. Journal of chemical theory and computation 20 (3) (2024)
Yi-Fan Hou, Lina Zhang, Quanhao Zhang, Fuchun Ge, Pavlo O Dral
Physics-Informed Active Learning for Accelerating Quantum Chemical Simulations. Journal of chemical theory and computation (2024)
Pavlo O Dral, Fuchun Ge, Yi-Fan Hou, Peikun Zheng, Yuxinxin Chen, Mario Barbatti, Oleksandr Isaev, Cheng Wang, Bao-Xin Xue, Max Pinheiro Júnior, Yuming Su, Yiheng Dai, Yangtao Chen, Lina Zhang, Shuang Zhang, Arif Ullah, Quanhao Zhang, Yanchi Ou
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows. Journal of chemical theory and computation 20 (3) (2024)
Lina Zhang, Yi-Fan Hou, Fuchun Ge, Pavlo O Dral
Energy-conserving molecular dynamics is not energy conserving. Physical chemistry chemical physics : PCCP (2023)
Yi-Fan Hou, Fuchun Ge, Pavlo O Dral
Explicit Learning of Derivatives with the KREG and pKREG Models on the Example of Accurate Representation of Molecular Potential Energy Surfaces. Journal of chemical theory and computation (2023)
Fuchun Ge, Lina Zhang, Yi-Fan Hou, Yuxinxin Chen, Arif Ullah, Pavlo O Dral
Four-Dimensional-Spacetime Atomistic Artificial Intelligence Models. The journal of physical chemistry letters (2023)
Pavlo O Dral, Fuchun Ge, Bao-Xin Xue, Yi-Fan Hou, Max Pinheiro Júnior, Jianxing Huang, Mario Barbatti
MLatom 2: An Integrative Platform for Atomistic Machine Learning. Topics in current chemistry (Cham) 379 (4) (2021)