Publications and Awards
Rehab Technologies Lab is an award-winning research line of IIT and our teams actively support the scientific community with many publications, dissemination talks and other accomplishments.
Publications
2026
Trizio E., Rossi G., Parrinello M.
Ceci n’est pas un committor, yet it samples like one: Efficient sampling via approximated committor functions
Journal of Chemical Physics, vol. 164, (no. 13)
2026
Kang P., Zhang J., Trizio E., Hou T., Parrinello M.
Committors without Descriptors
Journal of Chemical Theory and Computation, vol. 22, (no. 4), pp. 1613-1620
2026
Vidal-Girones O., Trizio E., Kang P., Parrinello M., Rivas-Fernandez J.P., Rovira C.
Enzyme Reset: Water-Mediated Tautomerization Restores the Catalytic Asparagine in Protein O-Fucosyltransferase 1
Journal of Chemical Information and Modeling, vol. 66, (no. 10), pp. 6086-6096
2026
De Angelis P., Raucci U., Mambretti F., Fasano M., Chiavazzo E., Asinari P., Parrinello M.
Exploring lithium diffusion in LiF with machine learning potentials: from point defects to collective ring diffusion
npj Computational Materials, vol. 12, (no. 1)
2026
Rossi G., Trizio E., Bochicchio D., Rossi G., Parrinello M.
Let’s Stalk about Membranes: Committor-Based Enhanced Sampling of Stalk Formation
Journal of Physical Chemistry Letters, vol. 17, (no. 36), pp. 10518-10524
2026
Neves R.P.P., Coimbra J.T.S., Paiva P., Raucci U., Das S., Calixto A.R., Ribeiro A.J.M., Sousa J.P.M., Ferreira P., Trizio E., Fernandes P.A., Parrinello M., Ramos M.J.
Methods for the establishment of enzymatic mechanisms – from QM to ML
Chemical Science
2026
Tripathi S., Bonati L., Perego S., Parrinello M.
Nitrogen adsorption and dissociation on flat and stepped Fe(110) surfaces
Journal of Catalysis, vol. 454
2026
Tosello Gardini A., Raucci U., Parrinello M.
Solvation-Mediated Ammonia Synthesis in a Nanoheterogeneous Liquid Alloy
Journal of the American Chemical Society, vol. 148, (no. 31), pp. 33776-33786
2026
Mambretti F., Raucci U., Gomez-Capiro O., Hojamberdiev M., Berendts S., Ruland H., Lerch M., Parrinello M.
Theory meets experiment in ammonia decomposition on Li14Cr2N8O: From order to disorder under reaction conditions
Journal of Chemical Physics, vol. 164, (no. 1)
2026
Deng Y., Kang P., Xu X., Li H., Parrinello M.
The role of fluctuations in the nucleation process
Proceedings of the National Academy of Sciences of the United States of America, vol. 123, (no. 5)
2026
Devergne T., Kostic V., Pontil M., Parrinello M.
The seeds of the future are in the present: A blind exploration of metastable states
Proceedings of the National Academy of Sciences of the United States of America, vol. 123, (no. 5)
2025
Das S., Raucci U., Trizio E., Kang P., Neves R.P., Ramos M.J., Parrinello M.
A Machine Learning-Driven, Probability-Based Approach to Enzyme Catalysis
ACS Catalysis, vol. 15, (no. 11), pp. 9785-9792
2025
Visigalli A., Trizio E., Bonati L., Vidossich P., Parrinello M., De Vivo M.
Coordinated Residue Motions at the Enzyme-Substrate Interface Promote DNA Translocation in Polymerases
Journal of the American Chemical Society
2025
Parrinello M., Greed S.
Discussions with a dignitary of molecular dynamics
Nature Reviews Chemistry, vol. 9, (no. 9)
2025
Tian X., Tosello Gardini A., Raucci U., Xiao H., Zhuo Y., Parrinello M.
Electrochemical potential-driven water dynamics control CO2 electroreduction at the Ag/H2O interface
Nature Communications, vol. 16, (no. 1)
2025
Trizio E., Kang P., Parrinello M.
Everything everywhere all at once: a probability-based enhanced sampling approach to rare events
Nature Computational Science
2025
Novelli P., Meanti G., Buigues P.J., Rosasco L., Parrinello M., Pontil M., Bonati L.
Fast and Fourier features for transfer learning of interatomic potentials
npj Computational Materials, vol. 11, (no. 1)
2025
Novelli P., Meanti G., Buigues P., Rosasco L., Parrinello M., Pontil M., Bonati L.
Fast and Fourier Features for Transfer Learning of Interatomic Potentials
npj Computational Materials
Article
Journal
Awards
2025
Rehab Technologies.
ADI Index award - Hannes arm
2025
Alessi C., Vasile F., Ceola F., Pasquale G., Boccardo N., Natale L.
Best Poster Award – IROS Workshop on "From Thought to Touch and Back: AI, Neural Interfaces and Sensory Feedback in Prosthetics"
2025
Alessi C., Vasile F., Ceola F., Pasquale G., Boccardo N., Natale L.
Best Poster Award – IROS Workshop on "Shared Autonomy and Sense of Agency"
2025
Laffranchi M., Traverso S., Vaccaro R., Cavallaro L., Canepa M., Boccardo N., Vassallo C., Maludrottu S., De Michieli L., Gruppioni E.
Compasso d'oro international award - Twin exoskeleton
2025
Semprini M.
EMBC Distinguished Lecturer
2025
Laffranchi M.
Member of the Scientific Committee, acted as a reviewer for the scientific projects programme.
2025
Laffranchi M.
Premio ANGI 2025 - Menzione speciale innovazione "Innovation leader award"
2025
Quadrelli D., De Giuseppe S., Sacchini A., Gelmini D., Canepa M.
Towards a clinically viable, modular, dry, high-density interface for prosthetic myocontrol
2024
Macaluso A., Bottino A., Pratticò F.G., Lamberti F., Galletti C., Storchi C., Podda J., Tacchino A., Brichetto G., Boccardo N., et al.
Best Session Presentation - Executive Control in a Mixed Reality Exergame for Motor-Cognitive Rehabilitation in Multiple Sclerosis
2024
Laffranchi M.
Member of the Scientific Committee, acted as a reviewer for the scientific projects programme.