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The Journal of Chemical Physics
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October 10, 2019
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias
Andrea Zen, Jan Gerit Brandenburg, Angelos Michaelides, et al.
The Journal of Chemical Physics
|
August 24, 2018
Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces
Philipp Pedevilla, Martin Fitzner, Gabriele C Sosso, et al.
Physical Review Letters
|
August 9, 2024
How Accurate Are Simulations and Experiments for the Lattice Energies of Molecular Crystals?
Flaviano Della Pia, Andrea Zen, Dario Alfè, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 10, 2011
Trends in water monomer adsorption and dissociation on flat insulating surfaces
Xiao Liang Hu, Javier Carrasco, Jiří Klimeš, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
December 6, 2016
Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline
Philipp Pedevilla, Stephen J Cox, Ben Slater, et al.
The Journal of Chemical Physics
|
November 3, 2019
Interaction between water and carbon nanostructures: How good are current density functional approximations?
Jan Gerit Brandenburg, Andrea Zen, Dario Alfè, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
October 4, 2012
Improved description of soft layered materials with van der Waals density functional theory
Gabriella Graziano, Jiří Klimeš, Felix Fernandez-Alonso, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 17, 2024
Crumbling crystals: on the dissolution mechanism of NaCl in water
Niamh O'Neill, Christoph Schran, Stephen J Cox, et al.
The Journal of Physical Chemistry Letters
|
August 2, 2022
Stick or Spill? Scaling Relationships for the Binding Energies of Adsorbates on Single-Atom Alloy Catalysts
Romain Réocreux, E Charles H Sykes, Angelos Michaelides, et al.
Journal of the American Chemical Society
|
October 6, 2015
The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity
Martin Fitzner, Gabriele C Sosso, Stephen J Cox, et al.
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of 20
Search research articles
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Showing results (51-60 of 197) with videos related to
Sort By:
Page
of 20
The Journal of Chemical Physics
|
October 10, 2019
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias
Andrea Zen, Jan Gerit Brandenburg, Angelos Michaelides, et al.
The Journal of Chemical Physics
|
August 24, 2018
Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces
Philipp Pedevilla, Martin Fitzner, Gabriele C Sosso, et al.
Physical Review Letters
|
August 9, 2024
How Accurate Are Simulations and Experiments for the Lattice Energies of Molecular Crystals?
Flaviano Della Pia, Andrea Zen, Dario Alfè, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 10, 2011
Trends in water monomer adsorption and dissociation on flat insulating surfaces
Xiao Liang Hu, Javier Carrasco, Jiří Klimeš, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
December 6, 2016
Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline
Philipp Pedevilla, Stephen J Cox, Ben Slater, et al.
The Journal of Chemical Physics
|
November 3, 2019
Interaction between water and carbon nanostructures: How good are current density functional approximations?
Jan Gerit Brandenburg, Andrea Zen, Dario Alfè, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
October 4, 2012
Improved description of soft layered materials with van der Waals density functional theory
Gabriella Graziano, Jiří Klimeš, Felix Fernandez-Alonso, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 17, 2024
Crumbling crystals: on the dissolution mechanism of NaCl in water
Niamh O'Neill, Christoph Schran, Stephen J Cox, et al.
The Journal of Physical Chemistry Letters
|
August 2, 2022
Stick or Spill? Scaling Relationships for the Binding Energies of Adsorbates on Single-Atom Alloy Catalysts
Romain Réocreux, E Charles H Sykes, Angelos Michaelides, et al.
Journal of the American Chemical Society
|
October 6, 2015
The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity
Martin Fitzner, Gabriele C Sosso, Stephen J Cox, et al.
Page
of 20