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Journal of Chemical Theory and Computation
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November 19, 2015
Static and Dynamical Correlation in Diradical Molecules by Quantum Monte Carlo Using the Jastrow Antisymmetrized Geminal Power Ansatz
Andrea Zen, Emanuele Coccia, Ye Luo, et al.
The Journal of Chemical Physics
|
April 17, 2015
Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo
Andrea Zen, Ye Luo, Guglielmo Mazzola, et al.
Nano Letters
|
September 14, 2021
Defect-Dependent Corrugation in Graphene
Fabian L Thiemann, Patrick Rowe, Andrea Zen, et al.
The Journal of Chemical Physics
|
August 12, 2017
Ice formation on kaolinite: Insights from molecular dynamics simulations
Gabriele C Sosso, Gareth A Tribello, Andrea Zen, et al.
Nature
|
September 14, 2022
The first-principles phase diagram of monolayer nanoconfined water
Venkat Kapil, Christoph Schran, Andrea Zen, et al.
The Journal of Chemical Physics
|
April 2, 2022
General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides
Benjamin X Shi, Venkat Kapil, Andrea Zen, et al.
The Journal of Chemical Physics
|
October 2, 2017
Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces
Martin Fitzner, Laurent Joly, Ming Ma, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
February 13, 2018
Fast and accurate quantum Monte Carlo for molecular crystals
Andrea Zen, Jan Gerit Brandenburg, Jiří Klimeš, et al.
Nature
|
December 2, 2025
Author Correction: The first-principles phase diagram of monolayer nanoconfined water
Venkat Kapil, Christoph Schran, Andrea Zen, et al.
Chemical Science
|
May 26, 2025
Accurate and efficient machine learning interatomic potentials for finite temperature modelling of molecular crystals
Flaviano Della Pia, Benjamin X Shi, Venkat Kapil, et al.
Page
of 5
Search research articles
Search
Showing results (21-30 of 47) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
November 19, 2015
Static and Dynamical Correlation in Diradical Molecules by Quantum Monte Carlo Using the Jastrow Antisymmetrized Geminal Power Ansatz
Andrea Zen, Emanuele Coccia, Ye Luo, et al.
The Journal of Chemical Physics
|
April 17, 2015
Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo
Andrea Zen, Ye Luo, Guglielmo Mazzola, et al.
Nano Letters
|
September 14, 2021
Defect-Dependent Corrugation in Graphene
Fabian L Thiemann, Patrick Rowe, Andrea Zen, et al.
The Journal of Chemical Physics
|
August 12, 2017
Ice formation on kaolinite: Insights from molecular dynamics simulations
Gabriele C Sosso, Gareth A Tribello, Andrea Zen, et al.
Nature
|
September 14, 2022
The first-principles phase diagram of monolayer nanoconfined water
Venkat Kapil, Christoph Schran, Andrea Zen, et al.
The Journal of Chemical Physics
|
April 2, 2022
General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides
Benjamin X Shi, Venkat Kapil, Andrea Zen, et al.
The Journal of Chemical Physics
|
October 2, 2017
Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces
Martin Fitzner, Laurent Joly, Ming Ma, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
February 13, 2018
Fast and accurate quantum Monte Carlo for molecular crystals
Andrea Zen, Jan Gerit Brandenburg, Jiří Klimeš, et al.
Nature
|
December 2, 2025
Author Correction: The first-principles phase diagram of monolayer nanoconfined water
Venkat Kapil, Christoph Schran, Andrea Zen, et al.
Chemical Science
|
May 26, 2025
Accurate and efficient machine learning interatomic potentials for finite temperature modelling of molecular crystals
Flaviano Della Pia, Benjamin X Shi, Venkat Kapil, et al.
Page
of 5