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Journal of Computational Chemistry
|
April 26, 2024
Machine learning for accuracy in density functional approximations
Johannes Voss
Journal of Chemical Theory and Computation
|
August 9, 2024
Density Functional Tight-Binding Models for Band Structures of Transition-Metal Alloys and Surfaces across the <i>d</i>-Block
Filippo Balzaretti, Johannes Voss
The Journal of Chemical Physics
|
June 6, 2008
Gamma-point lattice free energy estimates from O1 force calculations
Johannes Voss, Tejs Vegge
Journal of Computational Chemistry
|
April 27, 2022
Data-driven and constrained optimization of semi-local exchange and nonlocal correlation functionals for materials and surface chemistry
Kai Trepte, Johannes Voss
The Journal of Physical Chemistry Letters
|
November 10, 2015
Interfacial challenges in solid-state Li ion batteries
Alan C Luntz, Johannes Voss, Karsten Reuter
Journal of Chemical Information and Modeling
|
January 27, 2026
Optimizing Prediction of Chemical Bonds in Interfacial Dynamics through Local Uncertainty Estimates with Neural Network Ensembles
Suman Bhasker-Ranganath, Filippo Balzaretti, Johannes Voss
The Journal of Physical Chemistry. A
|
June 1, 2019
Specific Reaction Parameter Density Functional Based on the Meta-Generalized Gradient Approximation: Application to H<sub>2</sub> + Cu(111) and H<sub>2</sub> + Ag(111)
Egidius W F Smeets, Johannes Voss, Geert-Jan Kroes
Journal of Computational Chemistry
|
August 18, 2021
MCML: Combining physical constraints with experimental data for a multi-purpose meta-generalized gradient approximation
Kristopher Brown, Yasheng Maimaiti, Kai Trepte, et al.
Journal of Computational Chemistry
|
November 27, 2023
Number of sites-based solver for determining coverages from steady-state mean-field micro-kinetic models
Sudarshan Vijay, Hendrik H Heenen, Aayush R Singh, et al.
The Journal of Physical Chemistry Letters
|
April 18, 2019
Multi-ion Conduction in Li<sub>3</sub>OCl Glass Electrolytes
Hendrik H Heenen, Johannes Voss, Christoph Scheurer, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
Journal of Computational Chemistry
|
April 26, 2024
Machine learning for accuracy in density functional approximations
Johannes Voss
Journal of Chemical Theory and Computation
|
August 9, 2024
Density Functional Tight-Binding Models for Band Structures of Transition-Metal Alloys and Surfaces across the <i>d</i>-Block
Filippo Balzaretti, Johannes Voss
The Journal of Chemical Physics
|
June 6, 2008
Gamma-point lattice free energy estimates from O1 force calculations
Johannes Voss, Tejs Vegge
Journal of Computational Chemistry
|
April 27, 2022
Data-driven and constrained optimization of semi-local exchange and nonlocal correlation functionals for materials and surface chemistry
Kai Trepte, Johannes Voss
The Journal of Physical Chemistry Letters
|
November 10, 2015
Interfacial challenges in solid-state Li ion batteries
Alan C Luntz, Johannes Voss, Karsten Reuter
Journal of Chemical Information and Modeling
|
January 27, 2026
Optimizing Prediction of Chemical Bonds in Interfacial Dynamics through Local Uncertainty Estimates with Neural Network Ensembles
Suman Bhasker-Ranganath, Filippo Balzaretti, Johannes Voss
The Journal of Physical Chemistry. A
|
June 1, 2019
Specific Reaction Parameter Density Functional Based on the Meta-Generalized Gradient Approximation: Application to H<sub>2</sub> + Cu(111) and H<sub>2</sub> + Ag(111)
Egidius W F Smeets, Johannes Voss, Geert-Jan Kroes
Journal of Computational Chemistry
|
August 18, 2021
MCML: Combining physical constraints with experimental data for a multi-purpose meta-generalized gradient approximation
Kristopher Brown, Yasheng Maimaiti, Kai Trepte, et al.
Journal of Computational Chemistry
|
November 27, 2023
Number of sites-based solver for determining coverages from steady-state mean-field micro-kinetic models
Sudarshan Vijay, Hendrik H Heenen, Aayush R Singh, et al.
The Journal of Physical Chemistry Letters
|
April 18, 2019
Multi-ion Conduction in Li<sub>3</sub>OCl Glass Electrolytes
Hendrik H Heenen, Johannes Voss, Christoph Scheurer, et al.
Page
of 3