Miguel A. L. Marques

1. TIME-DEPENDENT DENSITY FUNCTIONAL THEORY
   2004/04/29 by M.A.L. Marques, Miguel A. L. Marques, E.K.U. Gross +1 · 15 citations
   Physics and Astronomy · #Advanced Chemical Physics Studies #Spectroscopy and Quantum Chemical Studies #Laser-Matter Interactions and Applications
2. Universal Machine Learning Interatomic Potentials are Ready for Phonons
   2024/12/21 by Antoine Loew, Dewen Sun, Loew, Antoine +8 · 1 voice · 31 citations
   Materials Science · #Machine Learning in Materials Science
3. 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
4. Symmetry-based computational search for novel binary and ternary 2D materials
   2022/12/07 by Hai‐Chen Wang, Wang, Hai-Chen, Jonathan Schmidt +7 · 6 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)
5. Searching Materials Space for Hydride Superconductors at Ambient Pressure
   2024/03/20 by Tiago F. T. Cerqueira, Yue‐Wen Fang, Cerqueira, Tiago F. T. +7 · 8 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. Excited states dynamics in time-dependent density functional theory:\n high-field molecular dissociation and harmonic generation
   2002/06/17 by Alberto Castro, Castro, Alberto, M. A. L. Marques +12 · 1 citation
   Chemistry · Physics and Astronomy · #Condensed Matter (cond-mat) #FOS: Physical sciences #Laser-Matter Interactions and Applications #Mass Spectrometry Techniques and Applications #Spectroscopy and Quantum Chemical Studies #cond-mat
8. Time-dependent electron localization function
   2004/04/30 by Tobias Burnus, Miguel A. L. Marques, Eberhard K. U. Gross · 1 citation
   Physics and Astronomy · #physics.chem-ph #physics.comp-ph
9. 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 · 6 citations
   Physics and Astronomy · Engineering · #Theoretical and Computational Physics #Superconducting Materials and Applications #Quantum, superfluid, helium dynamics
10. Accelerating point defect photo-emission calculations with machine learning interatomic potentials
    2025/05/02 by K. Sharma, Sharma, Kartikeya, Antoine Loew +10 · 5 citations
    Engineering · Materials Science · #Integrated Circuits and Semiconductor Failure Analysis #Electron and X-Ray Spectroscopy Techniques #Semiconductor materials and devices
11. Generative AI for Crystal Structures: A Review
    2025/09/02 by Pierre-Paul De Breuck, Hai‐Chen Wang, De Breuck, Pierre-Paul +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)
12. Universal Machine Learning Potential for Systems with Reduced Dimensionality
    2025/08/21 by Giulio Benedini, Benedini, Giulio, Antoine Loew +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
13. Sampling the Whole Materials Space for Conventional Superconducting Materials
    2023/07/20 by Tiago F. T. Cerqueira, Cerqueira, Tiago F. T., Antonio Sanna +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)
14. 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)
15. Quantum geometry and critical temperature enhancement in MgB₂ superconductivity
    2026/07/21 by Yi Jiang, Haoyu Hu, Dumitru Călugăru +13
    #cond-mat.supr-con #cond-mat.mes-hall