Marques, Miguel A. L.

1. Universal Machine Learning Interatomic Potentials are Ready for Phonons
   2024/12/21 by Antoine Loew, Loew, Antoine, Dewen Sun +8 · 1 voice · 32 citations
   Materials Science · #Machine Learning in Materials Science
2. Symmetry-based computational search for novel binary and ternary 2D materials
   2022/12/07 by Hai‐Chen Wang, Jonathan Schmidt, Wang, Hai-Chen +7 · 8 citations
   Materials Science · #2D Materials and Applications #Boron and Carbon Nanomaterials Research #Disordered Systems and Neural Networks (cond-mat.dis-nn) #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
3. Large-scale machine-learning-assisted exploration of the whole materials space
   2022/10/02 by Schmidt, Jonathan, Hoffmann, Noah, Wang, Hai-Chen +5 · 6 citations
   #Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
4. Transfer learning on large datasets for the accurate prediction of material properties
   2023/03/06 by Noah Hoffmann, Hoffmann, Noah, Jonathan Schmidt +5 · 6 citations
   Materials Science · Computer Science · #Machine Learning in Materials Science #Computational Drug Discovery Methods #X-ray Diffraction in Crystallography
5. Searching Materials Space for Hydride Superconductors at Ambient Pressure
   2024/03/20 by Tiago F. T. Cerqueira, Cerqueira, Tiago F. T., Yue‐Wen Fang +7 · 9 citations
   Engineering · Physics and Astronomy · Materials Science · #Superconducting Materials and Applications #Quantum, superfluid, helium dynamics #Nuclear Materials and Properties
6. A generative material transformer using Wyckoff representation
   2025/01/27 by Pierre-Paul De Breuck, De Breuck, Pierre-Paul, Hashim A. Piracha +5 · 1 voice · 9 citations
   Computer Science · Engineering · #Architecture and Computational Design #Music Technology and Sound Studies #cond-mat.mtrl-sci
7. Propagators for the time-dependent Kohn-Sham equations: multistep, Runge-Kutta, exponential Runge-Kutta, and commutator free Magnus methods
   2018/03/06 by Pueyo, Adrián Gómez, Marques, Miguel A. L., Rubio, Angel +1 · 2 citations
   #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences
8. Ambient pressure high temperature superconductivity in RbPH₃ facilitated by ionic anharmonicity
   2024/11/06 by Đorđe Dangić, Yue‐Wen Fang, Dangić, Đorđe +11 · 1 voice · 7 citations
   Physics and Astronomy · Engineering · #Theoretical and Computational Physics #Superconducting Materials and Applications #Quantum, superfluid, helium dynamics
9. Accelerating point defect photo-emission calculations with machine learning interatomic potentials
   2025/05/02 by K. Sharma, Antoine Loew, Sharma, Kartikeya +10 · 5 citations
   Engineering · Materials Science · #Integrated Circuits and Semiconductor Failure Analysis #Electron and X-Ray Spectroscopy Techniques #Semiconductor materials and devices
10. The Maximum T_c of Conventional Superconductors at Ambient Pressure
    2025/02/25 by Gao, Kun, Cerqueira, Tiago F. T., Sanna, Antonio +6 · 6 citations
    #FOS: Physical sciences #Superconductivity (cond-mat.supr-con)
11. Searching for ductile superconducting Heusler X2YZ compounds
    2023/06/07 by Hoffmann, Noah, Cerqueira, Tiago F. T., Borlido, Pedro +3 · 1 citation
    #FOS: Physical sciences #Superconductivity (cond-mat.supr-con)
12. Generative AI for Crystal Structures: A Review
    2025/09/02 by Pierre-Paul De Breuck, De Breuck, Pierre-Paul, Hai‐Chen Wang +7 · 6 citations
    Chemical Engineering · Chemistry · Materials Science · #Catalysis and Oxidation Reactions #FOS: Physical sciences #Inorganic Chemistry and Materials #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
13. Prediction of high-Tc superconductivity in ternary actinium beryllium hydrides at low pressure
    2024/11/28 by Gao, Kun, Cui, Wenwen, Shi, Jingming +5 · 2 citations
    #FOS: Physical sciences #Superconductivity (cond-mat.supr-con)
14. Two-Dimensional Noble Metal Chalcogenides in the Frustrated Snub-Square Lattice
    2023/10/18 by Wang, Hai-Chen, Huran, Ahmad W., Marques, Miguel A. L. +4 · 1 citation
    #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Other Condensed Matter (cond-mat.other)
15. Universal Machine Learning Potential for Systems with Reduced Dimensionality
    2025/08/21 by Giulio Benedini, Antoine Loew, Benedini, Giulio +8 · 1 voice · 3 citations
    Materials Science · Physics and Astronomy · #2D Materials and Applications #Machine Learning in Materials Science #Quantum many-body systems #cond-mat.mtrl-sci #physics.comp-ph
16. Sampling the Whole Materials Space for Conventional Superconducting Materials
    2023/07/20 by Tiago F. T. Cerqueira, Antonio Sanna, Cerqueira, Tiago F. T. +3 · 1 citation
    Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #FOS: Physical sciences #Inorganic Chemistry and Materials #Machine Learning in Materials Science #Superconductivity (cond-mat.supr-con)
17. Theory of Superconductivity in LaRu₃Si₂ and Predictions of New Kagome Flat Band Superconductors
    2025/03/26 by Junze Deng, Deng, Junze, Yi Jiang +31 · 3 citations
    Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #FOS: Physical sciences #Iron-based superconductors research #Rare-earth and actinide compounds #Superconductivity (cond-mat.supr-con)
18. AI-Driven Expansion and Application of the Alexandria Database
    2025/12/09 by Cavignac, Théo, Schmidt, Jonathan, De Breuck, Pierre-Paul +9 · 2 citations
    #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)