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

Transfer Learning in Materials Informatics: Structure-property relationships through minimal but highly informative multimodal input
Authors: D. Massa, G. Kaszuba, P. Sankowski, S. Papanikolaou
π NeurIPS 2024, ML4PS Workshop
π Read PDF
βΆοΈ Watch VideoHydrogen Diffusion in Magnesium Using ML Potentials: A comparative study
Authors: A. Angeletti, L. Leoni, D. Massa, L. Pasquini, S. Papanikolaou, C. Franchini
π npj Computational Materials 11, 85 (2025)
π DOIAlloy Informatics via Charge Density Profiles: Case study of hydrogen effects in FCC crystals
π Acta Materialia 268 (2024)
π DOISubstitutional Alloying Using Crystal Graph Neural Networks
Authors: D. Massa, D. Cieslinski, A. D. Naghdi, S. Papanikolaou
π AIP Advances 14, 015023 (2024)
π DOIMany-Body van der Waals Interactions Beyond the Dipole Approximation
Authors: D. Massa, A. Ambrosetti, P.L. Silvestrelli
π J. Chem. Phys. 154, 224115 (2021)
π DOIBeyond-dipole van der Waals contributions within the Many-Body
Dispersion framework
Authors: D. Massa, A. Ambrosetti, P.L. Silvestrelli
π Electronic Structure 3, 044002 (2021)
π DOINeural 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
π Acta Materialia 277, 120200 (2024)
π DOIHigh Entropy Alloy Composition Design for Mechanical Properties
Authors: A. D. Naghdi, D. Massa, K. Karimi, S. Papanikolaou
π IntechOpen Chapter
π ReadForecasting 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
π Advanced Intelligent Systems (2025)
π DOI

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
Iβm 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
Feel free to reach out!