Andrea Zen

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 16

Top Topics

Escherichia Coli

Molecular Dynamics

Top Venues

The Journal of chemical physics

Journal of chemical theory and computation

The journal of physical chemistry. C, Nanomaterials and interfaces

This page only lists publications with an associated author ORCID identifier.

Publications

Kousuke Nakano, Sandro Sorella, Dario Alfè, Andrea Zen
Beyond Single-Reference Fixed-Node Approximation in Ab Initio Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of Electrons. Journal of chemical theory and computation 20 (11) (2024)
Kousuke Nakano, Sandro Sorella, Dario Alfè, Andrea Zen
Beyond Single-Reference Fixed-Node Approximation in Ab Initio Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of Electrons. Journal of chemical theory and computation (2024)
Kousuke Nakano, Sandro Sorella, Dario Alfè, Andrea Zen
Beyond Single-Reference Fixed-Node Approximation in Ab Initio Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of Electrons. Journal of chemical theory and computation 20 (11) (2024)
Kousuke Nakano, Sandro Sorella, Dario Alfè, Andrea Zen
Beyond Single-Reference Fixed-Node Approximation in Ab Initio Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of Electrons. Journal of chemical theory and computation 20 (11) (2024)
Tran Thi Bao Le, Aaron R Finney, Andrea Zen, Tai Bui, Weparn J Tay, Kuhan Chellappah, Matteo Salvalaglio, Angelos Michaelides, Alberto Striolo
Mesoscale Simulations Reveal How Salt Influences Clay Particles Agglomeration in Aqueous Dispersions. Journal of chemical theory and computation (2023)
Ritaj Tyagi, Andrea Zen, Vamsee K Voora
Quantifying the Impact of Halogenation on Intermolecular Interactions and Binding Modes of Aromatic Molecules. The journal of physical chemistry. A (2023)
Benjamin X Shi, Andrea Zen, Venkat Kapil, Péter R Nagy, Andreas Grüneis, Angelos Michaelides
Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments. Journal of the American Chemical Society (2023)
Andrea Zen, Andreas Grüneis, Dario Alfè, Mariana Rossi
Beyond GGA total energies for solids and surfaces. The Journal of chemical physics 157 (5) (2022)
Andrea Zen, Tai Bui, Tran Thi Bao Le, Weparn J Tay, Kuhan Chellappah, Ian R Collins, Richard D Rickman, Alberto Striolo, Angelos Michaelides
Long-Range Ionic and Short-Range Hydration Effects Govern Strongly Anisotropic Clay Nanoparticle Interactions. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (18) (2022)
Venkat Kapil, Christoph Schran, Andrea Zen, Ji Chen, Chris J Pickard, Angelos Michaelides
The first-principles phase diagram of monolayer nanoconfined water. Nature 609 (7927) (2022)
Yasmine S Al-Hamdani, Péter R Nagy, Andrea Zen, Dennis Barton, Mihály Kállay, Jan Gerit Brandenburg, Alexandre Tkatchenko
Interactions between large molecules pose a puzzle for reference quantum mechanical methods. Nature communications 12 (1) (2021)
Jan Gerit Brandenburg, Andrea Zen, Dario Alfè, Angelos Michaelides
Interaction between water and carbon nanostructures: How good are current density functional approximations? The Journal of chemical physics 151 (16) (2019)
Andrea Zen, Jan Gerit Brandenburg, Angelos Michaelides, Dario Alfè
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias. The Journal of chemical physics 151 (13) (2019)
Gabriele Cesare Sosso, Gareth A Tribello, Andrea Zen, Philipp Pedevilla, Angelos Michaelides
Ice formation on kaolinite: Insights from molecular dynamics simulations. The Journal of chemical physics 145 (21) (2018)
Yasmine S Al-Hamdani, Mariana Rossi, Dario Alfè, Theodoros Tsatsoulis, Benjamin Ramberger, Jan Gerit Brandenburg, Andrea Zen, Georg Kresse, Andreas Grüneis, Alexandre Tkatchenko, Angelos Michaelides
Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy. The Journal of chemical physics 147 (4) (2018)
Martin Fitzner, Laurent Joly, Ming Ma, Gabriele Cesare Sosso, Andrea Zen, Angelos Michaelides
Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces. The Journal of chemical physics 147 (12) (2018)