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The Journal of Chemical Physics
|
December 21, 2023
wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows
Elena Gelžinytė, Simon Wengert, Tamás K Stenczel, et al.
The Journal of Chemical Physics
|
May 2, 2016
A universal preconditioner for simulating condensed phase materials
David Packwood, James Kermode, Letif Mones, et al.
Science Advances
|
December 16, 2017
Machine learning unifies the modeling of materials and molecules
Albert P Bartók, Sandip De, Carl Poelking, et al.
The Journal of Chemical Physics
|
November 23, 2015
Relation between pore size and the compressibility of a confined fluid
Gennady Y Gor, Daniel W Siderius, Christopher J Rasmussen, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 18, 2011
QM/MM simulation of liquid water with an adaptive quantum region
Noam Bernstein, Csilla Várnai, Iván Solt, et al.
The Journal of Physical Chemistry. B
|
September 4, 2018
Modeling the Phase-Change Memory Material, Ge<sub>2</sub>Sb<sub>2</sub>Te<sub>5</sub>, with a Machine-Learned Interatomic Potential
Felix C Mocanu, Konstantinos Konstantinou, Tae Hoon Lee, et al.
Journal of Computational Chemistry
|
February 5, 2015
The adaptive buffered force QM/MM method in the CP2K and AMBER software packages
Letif Mones, Andrew Jones, Andreas W Götz, et al.
ACS Omega
|
August 18, 2025
Cs<sub>3</sub>H<sub>2</sub>[BOB(PO<sub>4</sub>)<sub>3</sub>] - the Best-Performing 1D Borophosphate Intermediate Temperature Proton Electrolyte
J August Ridenour, Brian L Chaloux, Michelle D Johannes, et al.
Nature
|
January 7, 2021
Origins of structural and electronic transitions in disordered silicon
Volker L Deringer, Noam Bernstein, Gábor Csányi, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
May 27, 2017
Adsorption-Induced Deformation of Hierarchically Structured Mesoporous Silica-Effect of Pore-Level Anisotropy
Christian Balzer, Anna M Waag, Stefan Gehret, et al.
Page
of 4
Search research articles
Search
Showing results (21-30 of 40) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
December 21, 2023
wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows
Elena Gelžinytė, Simon Wengert, Tamás K Stenczel, et al.
The Journal of Chemical Physics
|
May 2, 2016
A universal preconditioner for simulating condensed phase materials
David Packwood, James Kermode, Letif Mones, et al.
Science Advances
|
December 16, 2017
Machine learning unifies the modeling of materials and molecules
Albert P Bartók, Sandip De, Carl Poelking, et al.
The Journal of Chemical Physics
|
November 23, 2015
Relation between pore size and the compressibility of a confined fluid
Gennady Y Gor, Daniel W Siderius, Christopher J Rasmussen, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 18, 2011
QM/MM simulation of liquid water with an adaptive quantum region
Noam Bernstein, Csilla Várnai, Iván Solt, et al.
The Journal of Physical Chemistry. B
|
September 4, 2018
Modeling the Phase-Change Memory Material, Ge<sub>2</sub>Sb<sub>2</sub>Te<sub>5</sub>, with a Machine-Learned Interatomic Potential
Felix C Mocanu, Konstantinos Konstantinou, Tae Hoon Lee, et al.
Journal of Computational Chemistry
|
February 5, 2015
The adaptive buffered force QM/MM method in the CP2K and AMBER software packages
Letif Mones, Andrew Jones, Andreas W Götz, et al.
ACS Omega
|
August 18, 2025
Cs<sub>3</sub>H<sub>2</sub>[BOB(PO<sub>4</sub>)<sub>3</sub>] - the Best-Performing 1D Borophosphate Intermediate Temperature Proton Electrolyte
J August Ridenour, Brian L Chaloux, Michelle D Johannes, et al.
Nature
|
January 7, 2021
Origins of structural and electronic transitions in disordered silicon
Volker L Deringer, Noam Bernstein, Gábor Csányi, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
May 27, 2017
Adsorption-Induced Deformation of Hierarchically Structured Mesoporous Silica-Effect of Pore-Level Anisotropy
Christian Balzer, Anna M Waag, Stefan Gehret, et al.
Page
of 4