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Federico Grasselli
Federico Grasselli
Ricercatore Tenure Track, Unimore
Zweryfikowany adres z unimore.it
Tytuł
Cytowane przez
Cytowane przez
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Uncertainty estimation for molecular dynamics and sampling
G Imbalzano, Y Zhuang, V Kapil, K Rossi, EA Engel, F Grasselli, M Ceriotti
The Journal of Chemical Physics 154 (7), 2021
882021
Heat transport in insulators from ab initio Green-Kubo theory
S Baroni, R Bertossa, L Ercole, F Grasselli, A Marcolongo
Handbook of materials modeling: Applications: Current and emerging materials …, 2020
662020
Topological quantization and gauge invariance of charge transport in liquid insulators
F Grasselli, S Baroni
Nature Physics, DOI:10.1038/s41567-019-0562-0, 2019
422019
Heat and charge transport in H2O at ice-giant conditions from ab initio molecular dynamics simulations
F Grasselli, L Stixrude, S Baroni
Nature Communications 11 (1), 3605, 2020
402020
Theory and numerical simulation of heat transport in multicomponent systems
R Bertossa, F Grasselli, L Ercole, S Baroni
Physical Review Letters 122 (25), 255901, 2019
372019
Investigating finite-size effects in molecular dynamics simulations of ion diffusion, heat transport, and thermal motion in superionic materials
F Grasselli
The Journal of Chemical Physics 156 (13), 2022
302022
Thermal and tidal evolution of Uranus with a growing frozen core
L Stixrude, S Baroni, F Grasselli
The Planetary Science Journal 2 (6), 222, 2021
302021
Temperature- and vacancy-concentration-dependence of heat transport in Li3ClO from multi-method numerical simulations
P Pegolo, S Baroni, F Grasselli
npj Computational Materials 8 (1), 24, 2022
292022
Invariance principles in the theory and computation of transport coefficients
F Grasselli, S Baroni
The European Physical Journal B 94, 160, 2021
282021
Oxidation states, Thouless’ pumps, and nontrivial ionic transport in nonstoichiometric electrolytes
P Pegolo, F Grasselli, S Baroni
Physical Review X 10 (4), 041031, 2020
232020
Robustness of local predictions in atomistic machine learning models
S Chong, F Grasselli, C Ben Mahmoud, JD Morrow, VL Deringer, ...
Journal of Chemical Theory and Computation 19 (22), 8020-8031, 2023
202023
Mechanism of charge transport in lithium thiophosphate
L Gigli, D Tisi, F Grasselli, M Ceriotti
Chemistry of Materials 36 (3), 1482-1496, 2024
172024
Variational approach to the soft-Coulomb potential in low-dimensional quantum systems
F Grasselli
American Journal of Physics 85 (11), 834-839, 2017
162017
Exact two-body quantum dynamics of an electron-hole pair in semiconductor coupled quantum wells: A time-dependent approach
F Grasselli, A Bertoni, G Goldoni
Physical Review B 93 (19), 195310, 2016
142016
Space-and time-dependent quantum dynamics of spatially indirect excitons in semiconductor heterostructures
F Grasselli, A Bertoni, G Goldoni
The Journal of chemical physics 142 (3), 2015
132015
Predicting hot-electron free energies from ground-state data
C Ben Mahmoud, F Grasselli, M Ceriotti
Physical Review B 106 (12), L121116, 2022
102022
Thermal transport of glasses via machine learning driven simulations
P Pegolo, F Grasselli
Frontiers in Materials 11, 1369034, 2024
92024
Self-interaction and transport of solvated electrons in molten salts
P Pegolo, S Baroni, F Grasselli
The Journal of Chemical Physics 159 (9), 2023
62023
Topology, oxidation states, and charge transport in ionic conductors
P Pegolo, S Baroni, F Grasselli
Annalen der Physik 534 (10), 2200123, 2022
62022
Performance of photoelectron spin polarimeters with continuous and pulsed sources: from storage rings to free electron lasers
T Pincelli, F Grasselli, VN Petrov, P Torelli, G Rossi
Journal of Synchrotron Radiation 24 (1), 175-187, 2017
62017
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