Andrea Zen
Andrea Zen
London Centre for Nanotechnology, University College London
Verified email at ucl.ac.uk
TitleCited byYear
Crystal nucleation in liquids: Open questions and future challenges in molecular dynamics simulations
GC Sosso, J Chen, SJ Cox, M Fitzner, P Pedevilla, A Zen, A Michaelides
Chemical reviews 116 (12), 7078-7116, 2016
1912016
Small-and large-scale conformational changes of adenylate kinase: a molecular dynamics study of the subdomain motion and mechanics
F Pontiggia, A Zen, C Micheletti
Biophysical journal 95 (12), 5901-5912, 2008
682008
Correspondences between low‐energy modes in enzymes: Dynamics‐based alignment of enzymatic functional families
A Zen, V Carnevale, AM Lesk, C Micheletti
Protein Science 17 (5), 918-929, 2009
642009
Ab-initio molecular dynamics simulation of liquid water by Quantum Monte Carlo
A Zen, Y Luo, G Mazzola, L Guidoni, S Sorella
The Journal of Chemical Physics 142, 144111, 2015
472015
Static and dynamical correlation in diradical molecules by quantum Monte Carlo using the Jastrow antisymmetrized geminal power ansatz
A Zen, E Coccia, Y Luo, S Sorella, L Guidoni
Journal of chemical theory and computation 10 (3), 1048-1061, 2014
382014
Molecular properties by Quantum Monte Carlo: an investigation on the role of the wave function ansatz and the basis set in the water molecule
A Zen, Y Luo, S Sorella, L Guidoni
Journal of chemical theory and computation 9 (10), 4332-4350, 2013
382013
Comparing interfacial dynamics in protein-protein complexes: an elastic network approach
A Zen, C Micheletti, O Keskin, R Nussinov
BMC structural biology 10 (1), 26, 2010
362010
Boosting the accuracy and speed of quantum Monte Carlo: Size consistency and time step
A Zen, S Sorella, MJ Gillan, A Michaelides, D Alfč
Phys. Rev. B 93, 241118(R), 2016
322016
Quantum monte carlo treatment of the charge transfer and diradical electronic character in a retinal chromophore minimal model
A Zen, E Coccia, S Gozem, M Olivucci, L Guidoni
Journal of chemical theory and computation 11 (3), 992-1005, 2015
312015
Using dynamics-based comparisons to predict nucleic acid binding sites in proteins: an application to OB-fold domains
A Zen, C De Chiara, A Pastore, C Micheletti
Bioinformatics 25 (15), 1876-1883, 2009
272009
Evidence for stable square ice from quantum Monte Carlo
J Chen, A Zen, JG Brandenburg, D Alfč, A Michaelides
Physical Review B 94 (22), 220102, 2016
262016
Ice formation on kaolinite: Insights from molecular dynamics simulations
GC Sosso, GA Tribello, A Zen, P Pedevilla, A Michaelides
The Journal of chemical physics 145 (21), 211927, 2016
252016
Fast and accurate quantum Monte Carlo for molecular crystals
A Zen, JG Brandenburg, J Klimeš, A Tkatchenko, D Alfč, A Michaelides
Proceedings of the National Academy of Sciences 115 (8), 1724-1729, 2018
182018
Ab initio molecular dynamics with noisy forces: Validating the quantum Monte Carlo approach with benchmark calculations of molecular vibrational properties
Y Luo, A Zen, S Sorella
The Journal of chemical physics 141 (19), 194112, 2014
182014
Finite-temperature electronic simulations without the Born-Oppenheimer constraint
G Mazzola, A Zen, S Sorella
The Journal of chemical physics 137 (13), 134112, 2012
182012
Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy
YS Al-Hamdani, M Rossi, D Alfe, T Tsatsoulis, B Ramberger, ...
The Journal of chemical physics 147 (4), 044710, 2017
152017
Optimized structure and vibrational properties by error affected potential energy surfaces
A Zen, D Zhelyazov, L Guidoni
Journal of chemical theory and computation 8 (11), 4204-4215, 2012
132012
Toward accurate adsorption energetics on clay surfaces
A Zen, LM Roch, SJ Cox, XL Hu, S Sorella, D Alfè, A Michaelides
The Journal of Physical Chemistry C 120 (46), 26402-26413, 2016
112016
Properties of reactive oxygen species by quantum Monte Carlo
A Zen, BL Trout, L Guidoni
The Journal of Chemical Physics 141 (1), 014305, 2014
102014
Physisorption of water on graphene: Subchemical accuracy from many-body electronic structure methods
JG Brandenburg, A Zen, M Fitzner, B Ramberger, G Kresse, T Tsatsoulis, ...
The journal of physical chemistry letters 10 (3), 358-368, 2019
52019
The system can't perform the operation now. Try again later.
Articles 1–20