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Journal of Chemical Theory and Computation
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November 24, 2015
Linear Scaling Self-Consistent Field Calculations with Millions of Atoms in the Condensed Phase
Joost VandeVondele, Urban Borštnik, Jürg Hutter
Journal of Chemical Theory and Computation
|
November 28, 2015
Auxiliary Density Matrix Methods for Hartree-Fock Exchange Calculations
Manuel Guidon, Jürg Hutter, Joost VandeVondele
Journal of Chemical Theory and Computation
|
April 7, 2017
Local Fitting of the Kohn-Sham Density in a Gaussian and Plane Waves Scheme for Large-Scale Density Functional Theory Simulations
Dorothea Golze, Marcella Iannuzzi, Jürg Hutter
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
September 20, 2012
Nano-ice models for the water aggregates observed on the h-BN/Rh(111) nanomesh
Yun Ding, Marcella Iannuzzi, Jürg Hutter
The Journal of Physical Chemistry Letters
|
June 27, 2019
Coupling of Surface Chemistry and Electric Double Layer at TiO<sub>2</sub> Electrochemical Interfaces
Chao Zhang, Jürg Hutter, Michiel Sprik
Physical Chemistry Chemical Physics : PCCP
|
November 29, 2014
Wetting of water on hexagonal boron nitride@Rh(111): a QM/MM model based on atomic charges derived for nano-structured substrates
Dorothea Golze, Jürg Hutter, Marcella Iannuzzi
The Journal of Physical Chemistry Letters
|
July 15, 2025
Extensive Band Gap Tunability in Covalent Organic Frameworks via Metal Intercalation and High Pressure
Michelle Ernst, Jürg Hutter, Stefano Battaglia
Journal of Chemical Theory and Computation
|
November 27, 2015
Robust Periodic Hartree-Fock Exchange for Large-Scale Simulations Using Gaussian Basis Sets
Manuel Guidon, Jürg Hutter, Joost VandeVondele
Chimia
|
June 18, 2011
Investigation of h-BN/Rh(111) nanomesh interacting with water and atomic hydrogen
Yun Ding, Marcella Iannuzzi, Jürg Hutter
Chimia
|
October 7, 2017
Investigation of <i>h</i> -BN/Rh(111) Nanomesh Interacting with Water and Atomic Hydrogen
Yun Ding, Marcella Iannuzzi, Jürg Hutter
Page
of 11
Search research articles
Search
Showing results (21-30 of 101) with videos related to
Sort By:
Page
of 11
Journal of Chemical Theory and Computation
|
November 24, 2015
Linear Scaling Self-Consistent Field Calculations with Millions of Atoms in the Condensed Phase
Joost VandeVondele, Urban Borštnik, Jürg Hutter
Journal of Chemical Theory and Computation
|
November 28, 2015
Auxiliary Density Matrix Methods for Hartree-Fock Exchange Calculations
Manuel Guidon, Jürg Hutter, Joost VandeVondele
Journal of Chemical Theory and Computation
|
April 7, 2017
Local Fitting of the Kohn-Sham Density in a Gaussian and Plane Waves Scheme for Large-Scale Density Functional Theory Simulations
Dorothea Golze, Marcella Iannuzzi, Jürg Hutter
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
September 20, 2012
Nano-ice models for the water aggregates observed on the h-BN/Rh(111) nanomesh
Yun Ding, Marcella Iannuzzi, Jürg Hutter
The Journal of Physical Chemistry Letters
|
June 27, 2019
Coupling of Surface Chemistry and Electric Double Layer at TiO<sub>2</sub> Electrochemical Interfaces
Chao Zhang, Jürg Hutter, Michiel Sprik
Physical Chemistry Chemical Physics : PCCP
|
November 29, 2014
Wetting of water on hexagonal boron nitride@Rh(111): a QM/MM model based on atomic charges derived for nano-structured substrates
Dorothea Golze, Jürg Hutter, Marcella Iannuzzi
The Journal of Physical Chemistry Letters
|
July 15, 2025
Extensive Band Gap Tunability in Covalent Organic Frameworks via Metal Intercalation and High Pressure
Michelle Ernst, Jürg Hutter, Stefano Battaglia
Journal of Chemical Theory and Computation
|
November 27, 2015
Robust Periodic Hartree-Fock Exchange for Large-Scale Simulations Using Gaussian Basis Sets
Manuel Guidon, Jürg Hutter, Joost VandeVondele
Chimia
|
June 18, 2011
Investigation of h-BN/Rh(111) nanomesh interacting with water and atomic hydrogen
Yun Ding, Marcella Iannuzzi, Jürg Hutter
Chimia
|
October 7, 2017
Investigation of <i>h</i> -BN/Rh(111) Nanomesh Interacting with Water and Atomic Hydrogen
Yun Ding, Marcella Iannuzzi, Jürg Hutter
Page
of 11