Promoting transparency and reproducibility in enhanced molecular simulations M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ... Nature methods 16 (8), 670-673, 2019 | 444 | 2019 |
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 | 398 | 2013 |
Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019 | 235 | 2019 |
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 | 203 | 2012 |
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 | 177 | 2015 |
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 | 163 | 2013 |
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 | 128 | 2018 |
Metadynamics studies of crystal nucleation F Giberti, M Salvalaglio, M Parrinello IUCrJ 2 (2), 256-266, 2015 | 104 | 2015 |
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 | 94 | 2017 |
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 | 83 | 2015 |
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 | 66 | 2014 |
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 | 60 | 2018 |
Transient polymorphism in NaCl F Giberti, GA Tribello, M Parrinello Journal of chemical theory and computation 9 (6), 2526-2530, 2013 | 55 | 2013 |
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 | 49 | 2017 |
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 | 46 | 2018 |
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 | 35 | 2014 |
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 | 31 | 2014 |
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 | 29 | 2020 |
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 | 27 | 2019 |
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 | 25 | 2018 |