papers
Publications (14)
physics.chem-ph2016
Boosting the accuracy and speed of quantum Monte Carlo: size-consistency and time-step
Andrea Zen, Sandro Sorella, Michael J. Gillan +2
physics.comp-ph2017
Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces
Martin Fitzner, Laurent Joly, Ming Ma +3
physics.chem-ph2018
Fast and accurate quantum Monte Carlo for molecular crystals
Andrea Zen, Jan Gerit Brandenburg, JiÅà KlimeÅ¡ +3
physics.chem-ph2016
Toward Accurate Adsorption Energetics on Clay Surfaces
Andrea Zen, Loïc M Roch, Stephen J Cox +4
physics.chem-ph2016
Ice Formation on Kaolinite: Insights from Molecular Dynamics Simulations
Gabriele C. Sosso, Gareth A. Tribello, Andrea Zen +2
physics.chem-ph2015
Ab-initio molecular dynamics simulation of liquid water by Quantum Monte Carlo
Andrea Zen, Ye Luo, Guglielmo Mazzola +2
physics.chem-ph2016
Evidence for Stable Square Ice from Quantum Monte Carlo
Ji Chen, Andrea Zen, Jan Gerit Brandenburg +2
cond-mat.str-el2013
Optimized structure and vibrational properties by error affected potential energy surfaces
Andrea Zen, Delyan Zhelyazov, Leonardo Guidoni
cond-mat.str-el2012
Finite temperature electronic simulations beyond the Born-Oppenheimer approximation
Guglielmo Mazzola, Andrea Zen, Sandro Sorella
cond-mat.mtrl-sci2018
On the physisorption of water on graphene: Sub-chemical accuracy from many-body electronic structure methods
Jan Gerit Brandenburg, Andrea Zen, Martin Fitzner +6
cond-mat.mtrl-sci2016
Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations
Gabriele C. Sosso, Ji Chen, Stephen J. Cox +4
physics.chem-ph2013
Molecular properties by Quantum Monte Carlo: an investigation on the role of the wave function ansatz and the basis set in the water molecule
Andrea Zen, Ye Luo, Sandro Sorella +1
physics.chem-ph2014
Properties of Reactive Oxygen Species by Quantum Monte Carlo
Andrea Zen, Bernhardt L. Trout, Leonardo Guidoni
physics.chem-ph2014
Static and dynamical correlation in diradical molecules by Quantum Monte Carlo using the Jastrow Antisymmetrized Geminal Power ansatz
Andrea Zen, Emanuele Coccia, Ye Luo +2