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Oliver T Unke

Showing results (1-10 of 27) with videos related to

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Journal of Chemical Information and Modeling|July 2, 2017
Toolkit for the Construction of Reproducing Kernel-Based Representations of Data: Application to Multidimensional Potential Energy SurfacesOliver T Unke, Markus Meuwly
The Journal of Chemical Physics|July 2, 2018
A reactive, scalable, and transferable model for molecular energies from a neural network approach based on local informationOliver T Unke, Markus Meuwly
Journal of Chemical Theory and Computation|May 3, 2019
PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments, and Partial ChargesOliver T Unke, Markus Meuwly
The Journal of Physical Chemistry Letters|March 27, 2018
Molecular Oxygen Formation in Interstellar Ices Does Not Require TunnelingMarco Pezzella, Oliver T Unke, Markus Meuwly
The Journal of Chemical Physics|June 8, 2020
Isomerization and decomposition reactions of acetaldehyde relevant to atmospheric processes from dynamics simulations on neural network-based potential energy surfacesSilvan Käser, Oliver T Unke, Markus Meuwly
The Journal of Chemical Physics|November 4, 2017
Minimal distributed charges: Multipolar quality at the cost of point charge electrostaticsOliver T Unke, Mike Devereux, Markus Meuwly
Plos Computational Biology|March 31, 2017
Migration of small ligands in globins: Xe diffusion in truncated hemoglobin NPolydefkis Diamantis, Oliver T Unke, Markus Meuwly
The Journal of Chemical Physics|February 24, 2019
Sampling reactive regions in phase space by following the minimum dynamic pathOliver T Unke, Sebastian Brickel, Markus Meuwly
The Journal of Physical Chemistry Letters|December 13, 2024
Complete and Efficient Covariants for Three-Dimensional Point Configurations with Application to Learning Molecular Quantum PropertiesHartmut Maennel, Oliver T Unke, Klaus-Robert Müller
The Journal of Chemical Physics|September 16, 2019
Reactive atomistic simulations of Diels-Alder reactions: The importance of molecular rotationsUxía Rivero, Oliver T Unke, Markus Meuwly, et al.
Pageof 3

Showing results (1-10 of 27) with videos related to

Sort By:
Pageof 3
Journal of Chemical Information and Modeling|July 2, 2017
Toolkit for the Construction of Reproducing Kernel-Based Representations of Data: Application to Multidimensional Potential Energy SurfacesOliver T Unke, Markus Meuwly
The Journal of Chemical Physics|July 2, 2018
A reactive, scalable, and transferable model for molecular energies from a neural network approach based on local informationOliver T Unke, Markus Meuwly
Journal of Chemical Theory and Computation|May 3, 2019
PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments, and Partial ChargesOliver T Unke, Markus Meuwly
The Journal of Physical Chemistry Letters|March 27, 2018
Molecular Oxygen Formation in Interstellar Ices Does Not Require TunnelingMarco Pezzella, Oliver T Unke, Markus Meuwly
The Journal of Chemical Physics|June 8, 2020
Isomerization and decomposition reactions of acetaldehyde relevant to atmospheric processes from dynamics simulations on neural network-based potential energy surfacesSilvan Käser, Oliver T Unke, Markus Meuwly
The Journal of Chemical Physics|November 4, 2017
Minimal distributed charges: Multipolar quality at the cost of point charge electrostaticsOliver T Unke, Mike Devereux, Markus Meuwly
Plos Computational Biology|March 31, 2017
Migration of small ligands in globins: Xe diffusion in truncated hemoglobin NPolydefkis Diamantis, Oliver T Unke, Markus Meuwly
The Journal of Chemical Physics|February 24, 2019
Sampling reactive regions in phase space by following the minimum dynamic pathOliver T Unke, Sebastian Brickel, Markus Meuwly
The Journal of Physical Chemistry Letters|December 13, 2024
Complete and Efficient Covariants for Three-Dimensional Point Configurations with Application to Learning Molecular Quantum PropertiesHartmut Maennel, Oliver T Unke, Klaus-Robert Müller
The Journal of Chemical Physics|September 16, 2019
Reactive atomistic simulations of Diels-Alder reactions: The importance of molecular rotationsUxía Rivero, Oliver T Unke, Markus Meuwly, et al.
Pageof 3