Vol. 1 No. 2 (2026): Artificial Intelligence in Molecular Physics

Articles

• Machine Learning-Based Prediction of Electronic and Thermodynamic Properties of Small Organic Molecules Using the QM9 Database

  Hyunsung Cho (Author)

  01-10

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• AI-Assisted Spectroscopy and Molecular Structure Elucidation: Recent Progress, Challenges, and Future Research Directions

  Liang Gao (Author)

  11-26

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• Explainable Machine Learning for Predicting Band Gaps and Formation Energies of Inorganic Materials: Evidence from the Materials Project

  Xiongwei Liang (Author)

  27-37

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• Machine Learning Interatomic Potentials for Molecular Simulations: Methods, Applications, Accuracy and Transferability

  Jürgen Bajorath (Author)

  38-48

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• Artificial Intelligence in Molecular Property Prediction: Advances in Machine Learning, Molecular Representations and Explainable Modelling

  Alec Lamens (Author)

  49-61

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