IRIS

ZEN, ANDREA

ZEN, ANDREA  

DIPARTIMENTO DI FISICA "ETTORE PANCINI"  

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Risultati 1 - 20 di 40 (tempo di esecuzione: 0.059 secondi).
Titolo Tipologia Data di pubblicazione Autore(i) File
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
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
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
Fast and accurate quantum Monte Carlo for molecular crystals 1.1 Articolo in rivista 2018 Zen, Andrea; Brandenburg, Jan Gerit; Klimeš, Jiří; Tkatchenko, Alexandre; Alfè, Dario; Michaelides, Angelos
Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods 1.1 Articolo in rivista 2019 Brandenburg, Jan Gerit; Zen, Andrea; Fitzner, Martin; Ramberger, Benjamin; Kresse, Georg; Tsatsoulis, Theodoros; Grüneis, Andreas; Michaelides, Angelos; Alfè, Dario
Interaction between water and carbon nanostructures: How good are current density functional approximations? 1.1 Articolo in rivista 2019 Brandenburg, Jan Gerit; Zen, Andrea; Alfè, Dario; Michaelides, Angelos
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias 1.1 Articolo in rivista 2019 Zen, Andrea; Brandenburg, Jan Gerit; Michaelides, Angelos; Alfè, Dario
TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo 1.1 Articolo in rivista 2020 Nakano, K.; Attaccalite, C.; Barborini, M.; Capriotti, L.; Casula, M.; Coccia, E.; Dagrada, M.; Genovese, C.; Luo, Y.; Mazzola, G.; Zen, A.; Sorella, S.
Hydration of NH4+ in Water: Bifurcated Hydrogen Bonding Structures and Fast Rotational Dynamics 1.1 Articolo in rivista 2020 Guo, J.; Zhou, L.; Zen, A.; Michaelides, A.; Wu, X.; Wang, E.; Xu, L.; Chen, J.
Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces 1.1 Articolo in rivista 2017 Fitzner, M.; Joly, L.; Ma, M.; Sosso, G. C.; Zen, A.; Michaelides, A.
Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations 1.1 Articolo in rivista 2016 Sosso, G. C.; Chen, J.; Cox, S. J.; Fitzner, M.; Pedevilla, P.; Zen, A.; Michaelides, A.
Ice formation on kaolinite: Insights from molecular dynamics simulations 1.1 Articolo in rivista 2016 Sosso, G. C.; Tribello, G. A.; Zen, A.; Pedevilla, P.; Michaelides, A.
The New Resonating Valence Bond Method for Ab-Initio Electronic Simulations 2.1 Contributo in volume (Capitolo o Saggio) 2014 Sorella, Sandro; Zen, Andrea
Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo 1.1 Articolo in rivista 2015 Zen, A.; Luo, Y.; Mazzola, G.; Guidoni, L.; Sorella, S.
Ab initio molecular dynamics with noisy forces: Validating the quantum Monte Carlo approach with benchmark calculations of molecular vibrational properties 1.1 Articolo in rivista 2014 Luo, Y.; Zen, A.; Sorella, S.
Properties of reactive oxygen species by quantum Monte Carlo 1.1 Articolo in rivista 2014 Zen, A.; Trout, B. L.; Guidoni, L.
Static and dynamical correlation in diradical molecules by quantum monte carlo using the jastrow antisymmetrized geminal power ansatz 1.1 Articolo in rivista 2014 Zen, A.; Coccia, E.; Luo, Y.; Sorella, S.; Guidoni, L.
Quantum monte carlo treatment of the charge transfer and diradical electronic character in a retinal chromophore minimal model 1.1 Articolo in rivista 2015 Zen, A.; Coccia, E.; Gozem, S.; Olivucci, M.; Guidoni, L.
Molecular properties by quantum Monte Carlo: An investigation on the role of the wave function ansatz and the basis set in the water molecule 1.1 Articolo in rivista 2013 Zen, A.; Luo, Y.; Sorella, S.; Guidoni, L.