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Gunnar Schmitz

Showing results (11-20 of 22) with videos related to

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The Journal of Chemical Physics|April 8, 2019
Approximate high mode coupling potentials using Gaussian process regression and adaptive density guided samplingGunnar Schmitz, Denis G Artiukhin, Ove Christiansen
The Journal of Chemical Physics|July 28, 2020
Implementation of the iterative triples model CC3 for excitation energies using pair natural orbitals and Laplace transformation techniquesMarius S Frank, Gunnar Schmitz, Christof Hättig
The Journal of Chemical Physics|March 15, 2022
A Gaussian process regression adaptive density guided approach for potential energy surface constructionGunnar Schmitz, Emil Lund Klinting, Ove Christiansen
Journal of Chemical Theory and Computation|October 19, 2017
Combining Accuracy and Efficiency: An Incremental Focal-Point Method Based on Pair Natural OrbitalsBenjamin Fiedler, Gunnar Schmitz, Christof Hättig, et al.
Journal of Computational Chemistry|October 12, 2021
An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constantsGunnar Schmitz, Özlem Yönder, Bastian Schnieder, et al.
The Journal of Chemical Physics|July 10, 2023
Gaussian process regression adaptive density-guided approach: Toward calculations of potential energy surfaces for larger moleculesDenis G Artiukhin, Ian H Godtliebsen, Gunnar Schmitz, et al.
Journal of Chemical Theory and Computation|November 23, 2022
Massive Assessment of the Binding Energies of Atmospheric Molecular ClustersAndreas Buchgraitz Jensen, Jakub Kubečka, Gunnar Schmitz, et al.
The Journal of Physical Chemistry. A|November 4, 2020
Can Small Polyaromatics Describe Their Larger Counterparts for Local Reactions? A Computational Study on the H-Abstraction Reaction by an H-Atom from PolyaromaticsÖzlem Yönder, Gunnar Schmitz, Christof Hättig, et al.
ACS Omega|January 2, 2023
Thermicity of the Decomposition of Oxygen Functional Groups on Cellulose-Derived CharsChristin Pflieger, Till Eckhard, Gunnar Schmitz, et al.
Physiological Measurement|April 26, 2006
Comparison of different methods to define regions of interest for evaluation of regional lung ventilation by EITSven Pulletz, Huibert R van Genderingen, Gunnar Schmitz, et al.
Pageof 3

Showing results (11-20 of 22) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|April 8, 2019
Approximate high mode coupling potentials using Gaussian process regression and adaptive density guided samplingGunnar Schmitz, Denis G Artiukhin, Ove Christiansen
The Journal of Chemical Physics|July 28, 2020
Implementation of the iterative triples model CC3 for excitation energies using pair natural orbitals and Laplace transformation techniquesMarius S Frank, Gunnar Schmitz, Christof Hättig
The Journal of Chemical Physics|March 15, 2022
A Gaussian process regression adaptive density guided approach for potential energy surface constructionGunnar Schmitz, Emil Lund Klinting, Ove Christiansen
Journal of Chemical Theory and Computation|October 19, 2017
Combining Accuracy and Efficiency: An Incremental Focal-Point Method Based on Pair Natural OrbitalsBenjamin Fiedler, Gunnar Schmitz, Christof Hättig, et al.
Journal of Computational Chemistry|October 12, 2021
An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constantsGunnar Schmitz, Özlem Yönder, Bastian Schnieder, et al.
The Journal of Chemical Physics|July 10, 2023
Gaussian process regression adaptive density-guided approach: Toward calculations of potential energy surfaces for larger moleculesDenis G Artiukhin, Ian H Godtliebsen, Gunnar Schmitz, et al.
Journal of Chemical Theory and Computation|November 23, 2022
Massive Assessment of the Binding Energies of Atmospheric Molecular ClustersAndreas Buchgraitz Jensen, Jakub Kubečka, Gunnar Schmitz, et al.
The Journal of Physical Chemistry. A|November 4, 2020
Can Small Polyaromatics Describe Their Larger Counterparts for Local Reactions? A Computational Study on the H-Abstraction Reaction by an H-Atom from PolyaromaticsÖzlem Yönder, Gunnar Schmitz, Christof Hättig, et al.
ACS Omega|January 2, 2023
Thermicity of the Decomposition of Oxygen Functional Groups on Cellulose-Derived CharsChristin Pflieger, Till Eckhard, Gunnar Schmitz, et al.
Physiological Measurement|April 26, 2006
Comparison of different methods to define regions of interest for evaluation of regional lung ventilation by EITSven Pulletz, Huibert R van Genderingen, Gunnar Schmitz, et al.
Pageof 3