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Federico Giberti
Federico Giberti
Pictet Asset Management
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Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
8122019
Proton transfer through the water gossamer
A Hassanali, F Giberti, J Cuny, TD Kühne, M Parrinello
Proceedings of the National Academy of Sciences 110 (34), 13723-13728, 2013
4032013
Uncovering molecular details of urea crystal growth in the presence of additives
M Salvalaglio, T Vetter, F Giberti, M Mazzotti, M Parrinello
Journal of the American Chemical Society 134 (41), 17221-17233, 2012
2142012
Molecular-dynamics simulations of urea nucleation from aqueous solution
M Salvalaglio, C Perego, F Giberti, M Mazzotti, M Parrinello
Proceedings of the National Academy of Sciences 112 (1), E6-E14, 2015
1862015
Fast crystallization of the phase change compound GeTe by large-scale molecular dynamics simulations
GC Sosso, G Miceli, S Caravati, F Giberti, J Behler, M Bernasconi
The journal of physical chemistry letters 4 (24), 4241-4246, 2013
1742013
SSAGES: software suite for advanced general ensemble simulations
H Sidky, YJ Colón, J Helfferich, BJ Sikora, C Bezik, W Chu, F Giberti, ...
The Journal of chemical physics 148 (4), 2018
1362018
Metadynamics studies of crystal nucleation
F Giberti, M Salvalaglio, M Parrinello
IUCrJ 2 (2), 256-266, 2015
1142015
Analyzing and driving cluster formation in atomistic simulations
GA Tribello, F Giberti, GC Sosso, M Salvalaglio, M Parrinello
Journal of chemical theory and computation 13 (3), 1317-1327, 2017
1012017
Insight into the nucleation of urea crystals from the melt
F Giberti, M Salvalaglio, M Mazzotti, M Parrinello
Chemical Engineering Science 121, 51-59, 2015
892015
Enhanced multiple exciton generation in PbS| CdS janus-like heterostructured nanocrystals
DM Kroupa, GF Pach, M Vörös, F Giberti, BD Chernomordik, RW Crisp, ...
ACS nano 12 (10), 10084-10094, 2018
682018
The role of quantum effects on structural and electronic fluctuations in neat and charged water
F Giberti, AA Hassanali, M Ceriotti, M Parrinello
The Journal of Physical Chemistry B 118 (46), 13226-13235, 2014
682014
Transient polymorphism in NaCl
F Giberti, GA Tribello, M Parrinello
Journal of chemical theory and computation 9 (6), 2526-2530, 2013
592013
The excess proton at the air-water interface: The role of instantaneous liquid interfaces
G Federico, H Ali, Ahmed
The Journal of Chemical Physics 146 (24), 244703, 2017
562017
Ab initio spectroscopy and ionic conductivity of water under earth mantle conditions
V Rozsa, D Pan, F Giberti, G Galli
Proceedings of the National Academy of Sciences 115 (27), 6952-6957, 2018
502018
Dissociation of salts in water under pressure
C Zhang, F Giberti, E Sevgen, JJ de Pablo, F Gygi, G Galli
Nature communications 11 (1), 3037, 2020
372020
The role of the umbrella inversion mode in proton diffusion
AA Hassanali, F Giberti, GC Sosso, M Parrinello
Chemical Physics Letters 599, 133-138, 2014
352014
1, 3, 5-Tris (4-bromophenyl) benzene prenucleation clusters from metadynamics
M Salvalaglio, F Giberti, M Parrinello
Acta Crystallographica Section C: Structural Chemistry 70 (2), 132-136, 2014
312014
Qresp, a tool for curating, discovering and exploring reproducible scientific papers
M Govoni, M Munakami, A Tanikanti, JH Skone, HB Runesha, F Giberti, ...
Scientific data 6 (1), 1-7, 2019
302019
Iterative unbiasing of quasi-equilibrium sampling
F Giberti, B Cheng, GA Tribello, M Ceriotti
Journal of chemical theory and computation 16 (1), 100-107, 2019
262019
Hierarchical coupling of first-principles molecular dynamics with advanced sampling methods
E Sevgen, F Giberti, H Sidky, JK Whitmer, G Galli, F Gygi, JJ de Pablo
Journal of Chemical Theory and Computation 14 (6), 2881-2888, 2018
262018
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