CP2K Open Source Molecular Dynamics

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exercises:common:reading_list [2023/12/05 13:43] – [Papers] fnunesexercises:common:reading_list [2025/12/29 04:44] (current) – [Papers] jglan
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   * DeepMD： Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics, Linfeng Zhang, Jiequn Han, Han Wang, Roberto Car, and Weinan E (DOI: https://doi.org/10.1103/PhysRevLett.120.143001)   * DeepMD： Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics, Linfeng Zhang, Jiequn Han, Han Wang, Roberto Car, and Weinan E (DOI: https://doi.org/10.1103/PhysRevLett.120.143001)
  
 +  * MACE: A foundation model for atomistic materials chemistry, Ilyes Batatia et al. (DOI: https://doi.org/10.1063/5.0297006)
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 +  * E3NN: e3nn: Euclidean Neural Networks, Mario Geiger, Tess Smidt (DOI: https://arxiv.org/abs/2207.09453)
  
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