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All papers authored by Fuchun Ge

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2024 Lina Zhang

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, Sebastian V. Pios, Mikołaj Martyka, Fuchun Ge

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, Yuxinxin Chen, Lipeng Chen

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, Joanna Jankowska

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, Mario Barbatti

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, Pavlo O. Dral

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MLatom Software Ecosystem for Surface Hopping Dynamics in Python with Quantum Mechanical and Machine Learning Methods

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Fuchun Ge

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, Ran Wang, Chen Qu, Peikun Zheng

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, Riccardo Conte

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, Paul L. Houston

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, Joel M. Bowman

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, Pavlo O. Dral

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Tell Machine Learning Potentials What They Are Needed For: Simulation-Oriented Training Exemplified for Glycine

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Pavlo O. Dral

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, Fuchun Ge

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, Yuxinxin Chen, Mario Barbatti

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, Olexandr Isayev

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, Bao-Xin Xue, Max Pinheiro Jr

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, Yuming Su, Yiheng Dai, Yangtao Chen, Lina Zhang

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, Shuang Zhang and 3 other authors

MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows

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2023 Fuchun Ge

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, Yuxinxin Chen, Arif Ullah

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, Pavlo O. Dral

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Four-Dimensional-Spacetime Atomistic Artificial Intelligence Models

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Yi-Fan Hou

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, Fuchun Ge

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, Pavlo O. Dral

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Explicit Learning of Derivatives with the KREG and pKREG Models on the Example of Accurate Representation of Molecular Potential Energy Surfaces

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Yuxinxin Chen

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, Yaohuang Huang

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, Fuchun Ge

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, Pavlo O. Dral

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Benchmark of general-purpose machine learning-based quantum mechanical method AIQM1 on reaction barrier heights

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Lina Zhang

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, Fuchun Ge

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, Pavlo O. Dral

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Energy-conserving molecular dynamics is not energy conserving

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2021 Pavlo O. Dral

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, Fuchun Ge

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, Jianxing Huang

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, Mario Barbatti

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MLatom 2: An Integrative Platform for Atomistic Machine Learning

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Max Pinheiro

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, Fuchun Ge

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, Nicolas Ferré

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, Pavlo O. Dral

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, Mario Barbatti

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Choosing the right molecular machine learning potential

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2019 Chunlan Liu, Danxia Yu, Fuchun Ge

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, Limin Yang, Qiuquan Wang

Fluorescent and mass spectrometric evaluation of the phagocytic internalization of a CD47-peptide modified drug-nanocarrier

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Caixia Ji, Yong Liang, Fuchun Ge

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, Limin Yang, Qiuquan Wang

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Inhibitory Covalent Labeling and Clickable-Eu-Tagging-Based ICPMS: Measurement of pH-Dependent Absolute Activities of the Cathepsins in Hepatocyte Lysosomes

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Rong Yuan, Fuchun Ge

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, Yong Liang, Yang Zhou, Limin Yang, Qiuquan Wang

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Viruslike Element-Tagged Nanoparticle Inductively Coupled Plasma Mass Spectrometry Signal Multiplier: Membrane Biomarker Mediated Cell Counting

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