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Daniele Rapetti
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Reversed size-dependent stabilization of ordered nanophases
J Pirart, A Front, D Rapetti, C Andreazza-Vignolle, P Andreazza, C Mottet, ...
Nature Communications 10 (1), 1982, 2019
442019
Density functional theory global optimization of chemical ordering in AgAu nanoalloys
D Rapetti, R Ferrando
Journal of Alloys and Compounds 779, 582-589, 2019
182019
Regression and clustering algorithms for AgCu nanoalloys: from mixing energy predictions to structure recognition
C Roncaglia, D Rapetti, R Ferrando
Physical Chemistry Chemical Physics 23 (40), 23325-23335, 2021
122021
Innate dynamics and identity crisis of a metal surface unveiled by machine learning of atomic environments
M Cioni, D Polino, D Rapetti, L Pesce, M Delle Piane, GM Pavan
The Journal of Chemical Physics 158 (12), 2023
82023
A DFT study of chemical ordering and oxygen adsorption in AuPtPd ternary nanoalloys
AK Garip, H Arslan, D Rapetti, R Ferrando
Materials Today Communications 25, 101545, 2020
72020
TimeSOAP: Tracking high-dimensional fluctuations in complex molecular systems via time variations of SOAP spectra
C Caruso, A Cardellini, M Crippa, D Rapetti, GM Pavan
The Journal of Chemical Physics 158 (21), 2023
62023
Machine learning of atomic dynamics and statistical surface identities in gold nanoparticles
D Rapetti, M Delle Piane, M Cioni, D Polino, R Ferrando, GM Pavan
Communications Chemistry 6 (1), 143, 2023
52023
Optimizing the shape and chemical ordering of nanoalloys with specialized walkers
D Rapetti, C Roncaglia, R Ferrando
Advanced Theory and Simulations 6 (9), 2300268, 2023
22023
Sampling real-time atomic dynamics in metal nanoparticles by combining experiments, simulations, and machine learning
M Cioni, M Delle Piane, D Polino, D Rapetti, M Crippa, EA Irmak, ...
2023
Optimizing the Shape and Chemical Ordering of Nanoalloys with Specialized Walkers (Adv. Theory Simul. 9/2023)
D Rapetti, C Roncaglia, R Ferrando
Advanced Theory and Simulations 6 (9), 2370020, 2023
2023
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