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ALFE', Dario

ALFE', Dario  

DIPARTIMENTO DI FISICA "ETTORE PANCINI"  

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Risultati 1 - 20 di 233 (tempo di esecuzione: 0.036 secondi).
Titolo Tipologia Data di pubblicazione Autore(i) File
Unravelling the roles of surface chemical composition and geometry for the graphene-metal interaction through C1s core-level spectroscopy 1.1 Articolo in rivista 2015 Presel, Francesco; Jabeen, Naila; Pozzo, Monica; Curcio, Davide; Omiciuolo, Luca; Lacovig, Paolo; Lizzit, Silvano; Alfè, Dario; Baraldi, Alessandro
On core convection and the geodynamo: Effects of high electrical and thermal conductivity 1.1 Articolo in rivista 2015 Gubbins, David; Alfe', Dario; Davies, Chris; Pozzo, Monica
Energy benchmarks for methane-water systems from quantum Monte Carlo and second-order Møller-Plesset calculations 1.1 Articolo in rivista 2015 Gillan, M. J.; Alfè, D.; Manby, F. R.
Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250K using neutron time-of-flight Laue diffraction 1.1 Articolo in rivista 2015 Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R.; Gutmann, Matthias J.
Constraints from material properties on the dynamics and evolution of Earth's core 1.1 Articolo in rivista 2015 Davies, Christopher; Pozzo, Monica; Gubbins, David; Alfè, Dario
Communication: Water on hexagonal boron nitride from diffusion Monte Carlo 1.1 Articolo in rivista 2015 Al-Hamdani, Yasmine S.; Ming, Ma; Alfè, Dario; Von Lilienfeld, O. Anatole; Michaelides, Angelos
Structural, vibrational and thermodynamic properties of Mg2SiO4 and MgSiO3 minerals from first-principles simulations 1.1 Articolo in rivista 2015 Hernández, E. R.; Brodholt, J.; Alfè, D.
Nuclear quantum effects on the high pressure melting of dense lithium 1.1 Articolo in rivista 2015 Feng, Yexin; Chen, Ji; Alfè, Dario; Xin-Zheng, Li; Wang, Enge
Theory & Practice - The Ab Initio Treatment of High Pressure & Temperature Mineral Properties & Behaviour 2.1 Contributo in volume (Capitolo o Saggio) 2015 Alfe', Dario
Comparison of polynomial approximations to speed up planewave-based quantum Monte Carlo calculations 1.1 Articolo in rivista 2015 Parker, William D.; Umrigar, C. J.; Alfè, Dario; Petruzielo, F. R.; Hennig, Richard G.; Wilkins, John W.
Toward accurate adsorption energetics on clay surfaces 1.1 Articolo in rivista 2016 Zen, Andrea; Roch, Loïc M.; Cox, Stephen J.; Hu, Xiao Liang; Sorella, Sandro; Alfè, Dario; Michaelides, Angelos
Perspective: How good is DFT for water? 1.1 Articolo in rivista 2016 Gillan, Michael J.; Alfè, Dario; Michaelides, Angelos
Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: Water and other small molecules 1.1 Articolo in rivista 2016 Al-Hamdani, Yasmine S.; Alfè, Dario; Von Lilienfeld, O. Anatole; Michaelides, Angelos
Saturation of electrical resistivity of solid iron at Earth’s core conditions 1.1 Articolo in rivista 2016 Pozzo, Monica; Alfè, Dario
Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy 1.1 Articolo in rivista 2017 Al-Hamdani, Yasmine S.; Rossi, Mariana; Alfè, Dario; Tsatsoulis, Theodoros; Ramberger, Benjamin; Brandenburg, Jan Gerit; Zen, Andrea; Kresse, Georg; Grüneis, Andreas; Tkatchenko, Alexandre; Michaelides, Angelos
Molecular Lifting, Twisting, and Curling during Metal-Assisted Polycyclic Hydrocarbon Dehydrogenation 1.1 Articolo in rivista 2016 Curcio, Davide; Omiciuolo, Luca; Pozzo, Monica; Lacovig, Paolo; Lizzit, Silvano; Jabeen, Naila; Petaccia, Luca; Alfè, Dario; Baraldi, Alessandro
Evidence for stable square ice from quantum Monte Carlo 1.1 Articolo in rivista 2016 Chen, Ji; Zen, Andrea; Brandenburg, Jan Gerit; Alfè, Dario; Michaelides, Angelos
Boosting the accuracy and speed of quantum Monte Carlo: Size consistency and time step 1.1 Articolo in rivista 2016 Zen, Andrea; Sorella, Sandro; Gillan, Michael J.; Michaelides, Angelos; Alfè, Dario
Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal-Organic Frameworks 1.1 Articolo in rivista 2017 Vlaisavljevich, Bess; Huck, Johanna; Hulvey, Zeric; Lee, Kyuho; Mason, Jarad A.; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.; Alfè, Dario; Michaelides, Angelos; Smit, Berend
Partitioning of Oxygen Between Ferropericlase and Earth's Liquid Core 1.1 Articolo in rivista 2018 Davies, C. J.; Pozzo, M.; Gubbins, D.; Alfè, D.