Dario Massa

Senior Researcher in AI4Science, IDEAS Research Institute, Warsaw Ellis UnitPh.D. in Physics from University of Warsaw
Expertise: Computational Materials Physics, Materials Informatics, Machine Learning

Projects

Transfer Learning in Materials Informatics: Structure-property relationships through minimal but highly informative multimodal input
Authors: D. Massa, G. Kaszuba, P. Sankowski, S. Papanikolaou
πŸ“ NeurIPS 2024, ML4PS Workshop
πŸ”— Read PDF
▢️ Watch Video
Hydrogen Diffusion in Magnesium Using ML Potentials: A comparative study
Authors: A. Angeletti, L. Leoni, D. Massa, L. Pasquini, S. Papanikolaou, C. Franchini
πŸ“ npj Computational Materials 11, 85 (2025)
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Alloy Informatics via Charge Density Profiles: Case study of hydrogen effects in FCC crystals
πŸ“ Acta Materialia 268 (2024)
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Substitutional Alloying Using Crystal Graph Neural Networks
Authors: D. Massa, D. Cieslinski, A. D. Naghdi, S. Papanikolaou
πŸ“ AIP Advances 14, 015023 (2024)
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Many-Body van der Waals Interactions Beyond the Dipole Approximation
Authors: D. Massa, A. Ambrosetti, P.L. Silvestrelli
πŸ“ J. Chem. Phys. 154, 224115 (2021)
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Beyond-dipole van der Waals contributions within the Many-Body
Dispersion framework

Authors: D. Massa, A. Ambrosetti, P.L. Silvestrelli
πŸ“ Electronic Structure 3, 044002 (2021)
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Neural Network Interatomic Potentials For Open Surface Nano-mechanics Applications
Authors: A. D. Naghdi, F. Pellegrini, E. KΓΌΓ§ΓΌkbenli, D. Massa, F. J. D. Gutierrez, E. Kaxiras, S. Papanikolaou
πŸ“ Acta Materialia 277, 120200 (2024)
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High Entropy Alloy Composition Design for Mechanical Properties
Authors: A. D. Naghdi, D. Massa, K. Karimi, S. Papanikolaou
πŸ“ IntechOpen Chapter
πŸ”— Read
Forecasting Research Trends with LLMs and Knowledge Graphs
Authors: M. Tomczak, Y.-J. Park, C.-W. Hsu, P. Brown, D. Massa, P. Sankowski, J. Li, S. Papanikolaou
πŸ“ Advanced Intelligent Systems (2025)
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Network

Harvard University, MA, USA
Massachusetts Institute of Technology, MA, USA
University of Bologna, Bologna, Italy
University of Vienna, Vienna, Austria
SISSA, Trieste, Italy
Aalto University, Helsinki, Finland
National Center for Nuclear Research, Otwock, Poland
Warsaw University, Warsaw, Poland
Warsaw University of Technology, Warsaw Poland
IFPAN, Warsaw
AGH, KrakΓ³w, Poland
PoznaΕ„ University of Technology, PoznaΕ„, Poland

About me

I’m working in the interdisciplinary field of AI4Science, with a PhD in Physics from the University of Warsaw. My current work focuses on applying machine learning to the study of materials, molecular structures, and complex physical systems.I have always felt attracted by computational experiments and the theory behind. I have completed a number of challenging tasks and projects, spanning from advancing the theory of van der Waals interactions modelling through many-body treatment and implementing such improvements in the simulation of molecules/nanostructures in DFT, up to high-throughput DFT/MD simulations of defects dynamics and egects in bulk crystals, developing/implementing advanced Machine Learning tools for structure-property prediction on top of their data, and on-the-fly interatomic potentials for multiscale modelling. Each of such tasks and projects involved the learning of novel approaches, as well as completion and publication of the research scopes in collaboration with top institutions in the field, including MIT, Harvard University, SISSA,
as well as Vienna, Bologna and Warsaw Universities.
Curriculum Vitae

Contact

Feel free to reach out!