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Frederick Stein

Showing results (1-10 of 8) with videos related to

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The Journal of Chemical Physics|February 20, 2022
Double-hybrid density functionals for the condensed phase: Gradients, stress tensor, and auxiliary-density matrix method accelerationFrederick Stein, 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 benzeneFrederick Stein, Jürg Hutter
Molecules (Basel, Switzerland)|November 11, 2020
Double-Hybrid DFT Functionals for the Condensed Phase: Gaussian and Plane Waves Implementation and EvaluationFrederick Stein, Jürg Hutter, Vladimir V Rybkin
The Journal of Chemical Physics|December 9, 2025
Mixed Gaussian and plane wave basis set implementation of the random phase approximation and of σ-functionals within the program package CP2KRaviraj Mandalia, Egor Trushin, Frederick Stein, et al.
Nature Communications|October 2, 2023
Mechanistic insight on water dissociation on pristine low-index TiO<sub>2</sub> surfaces from machine learning molecular dynamics simulationsZezhu Zeng, Felix Wodaczek, Keyang Liu, et al.
Frontiers in Human Neuroscience|April 4, 2022
Spatial and Temporal Distribution of Information Processing in the Human Dorsal Anterior Cingulate CortexConor Keogh, Alceste Deli, Amir Puyan Divanbeighi Zand, et al.
The Journal of Physical Chemistry. B|January 15, 2026
The CP2K Program Package Made SimpleMarcella Iannuzzi, Jan Wilhelm, Frederick Stein, et al.
The Journal of Chemical Physics|March 9, 2021
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculationsThomas D Kühne, Marcella Iannuzzi, Mauro Del Ben, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|February 20, 2022
Double-hybrid density functionals for the condensed phase: Gradients, stress tensor, and auxiliary-density matrix method accelerationFrederick Stein, 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 benzeneFrederick Stein, Jürg Hutter
Molecules (Basel, Switzerland)|November 11, 2020
Double-Hybrid DFT Functionals for the Condensed Phase: Gaussian and Plane Waves Implementation and EvaluationFrederick Stein, Jürg Hutter, Vladimir V Rybkin
The Journal of Chemical Physics|December 9, 2025
Mixed Gaussian and plane wave basis set implementation of the random phase approximation and of σ-functionals within the program package CP2KRaviraj Mandalia, Egor Trushin, Frederick Stein, et al.
Nature Communications|October 2, 2023
Mechanistic insight on water dissociation on pristine low-index TiO<sub>2</sub> surfaces from machine learning molecular dynamics simulationsZezhu Zeng, Felix Wodaczek, Keyang Liu, et al.
Frontiers in Human Neuroscience|April 4, 2022
Spatial and Temporal Distribution of Information Processing in the Human Dorsal Anterior Cingulate CortexConor Keogh, Alceste Deli, Amir Puyan Divanbeighi Zand, et al.
The Journal of Physical Chemistry. B|January 15, 2026
The CP2K Program Package Made SimpleMarcella Iannuzzi, Jan Wilhelm, Frederick Stein, et al.
The Journal of Chemical Physics|March 9, 2021
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculationsThomas D Kühne, Marcella Iannuzzi, Mauro Del Ben, et al.
Pageof 1