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The Journal of Chemical Physics
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June 8, 2013
Nonlocal van der Waals functionals: the case of rare-gas dimers and solids
Fabien Tran, Jürg Hutter
The Journal of Chemical Physics
|
December 3, 2008
Notes on "Ewald summation of electrostatic multipole interactions up to quadrupolar level" [J. Chem. Phys. 119, 7471 (2003)]
Teodoro Laino, Jürg Hutter
The Journal of Chemical Physics
|
January 12, 2024
Massively parallel implementation of gradients within the random phase approximation: Application to the polymorphs of benzene
Frederick Stein, Jürg Hutter
The Journal of Chemical Physics
|
September 9, 2004
Solvent effects on electronic properties from Wannier functions in a dimethyl sulfoxide/water mixture
Barbara Kirchner, Jürg Hutter
ACS Physical Chemistry Au
|
June 1, 2026
Free-Energy Profiles of Confined Reactions: Influence of Confinement Type and Challenges for Metadynamics Methods
Michelle Ernst, Jürg Hutter
Journal of Chemical Theory and Computation
|
July 20, 2016
Liquid Water through Density-Functional Molecular Dynamics: Plane-Wave vs Atomic-Orbital Basis Sets
Giacomo Miceli, Jürg Hutter, Alfredo Pasquarello
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
June 23, 2011
Atomistic simulations of a solid/liquid interface: a combined force field and first principles approach to the structure and dynamics of acetonitrile near an anatase surface
Florian Schiffmann, Jürg Hutter, Joost Vandevondele
The Journal of Chemical Physics
|
April 27, 2023
Sparse tensor based nuclear gradients for periodic Hartree-Fock and low-scaling correlated wave function methods in the CP2K software package: A massively parallel and GPU accelerated implementation
Augustin Bussy, Ole Schütt, Jürg Hutter
The Journal of Chemical Physics
|
March 27, 2026
Fast evaluation of unbiased atomic forces in ab initio variational Monte Carlo via the Lagrangian technique
Kousuke Nakano, Stefano Battaglia, Jürg Hutter
The Journal of Chemical Physics
|
September 8, 2014
Raman spectra from ab initio molecular dynamics and its application to liquid S-methyloxirane
Sandra Luber, Marcella Iannuzzi, Jürg Hutter
Page
of 11
Search research articles
Search
Showing results (11-20 of 101) with videos related to
Sort By:
Page
of 11
The Journal of Chemical Physics
|
June 8, 2013
Nonlocal van der Waals functionals: the case of rare-gas dimers and solids
Fabien Tran, Jürg Hutter
The Journal of Chemical Physics
|
December 3, 2008
Notes on "Ewald summation of electrostatic multipole interactions up to quadrupolar level" [J. Chem. Phys. 119, 7471 (2003)]
Teodoro Laino, Jürg Hutter
The Journal of Chemical Physics
|
January 12, 2024
Massively parallel implementation of gradients within the random phase approximation: Application to the polymorphs of benzene
Frederick Stein, Jürg Hutter
The Journal of Chemical Physics
|
September 9, 2004
Solvent effects on electronic properties from Wannier functions in a dimethyl sulfoxide/water mixture
Barbara Kirchner, Jürg Hutter
ACS Physical Chemistry Au
|
June 1, 2026
Free-Energy Profiles of Confined Reactions: Influence of Confinement Type and Challenges for Metadynamics Methods
Michelle Ernst, Jürg Hutter
Journal of Chemical Theory and Computation
|
July 20, 2016
Liquid Water through Density-Functional Molecular Dynamics: Plane-Wave vs Atomic-Orbital Basis Sets
Giacomo Miceli, Jürg Hutter, Alfredo Pasquarello
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
June 23, 2011
Atomistic simulations of a solid/liquid interface: a combined force field and first principles approach to the structure and dynamics of acetonitrile near an anatase surface
Florian Schiffmann, Jürg Hutter, Joost Vandevondele
The Journal of Chemical Physics
|
April 27, 2023
Sparse tensor based nuclear gradients for periodic Hartree-Fock and low-scaling correlated wave function methods in the CP2K software package: A massively parallel and GPU accelerated implementation
Augustin Bussy, Ole Schütt, Jürg Hutter
The Journal of Chemical Physics
|
March 27, 2026
Fast evaluation of unbiased atomic forces in ab initio variational Monte Carlo via the Lagrangian technique
Kousuke Nakano, Stefano Battaglia, Jürg Hutter
The Journal of Chemical Physics
|
September 8, 2014
Raman spectra from ab initio molecular dynamics and its application to liquid S-methyloxirane
Sandra Luber, Marcella Iannuzzi, Jürg Hutter
Page
of 11