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Thomas Stecher

Showing results (1-10 of 6) with videos related to

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Journal of Chemical Theory and Computation|November 21, 2015
Free Energy Surface Reconstruction from Umbrella Samples Using Gaussian Process RegressionThomas Stecher, Noam Bernstein, Gábor Csányi
Physical Review Letters|January 14, 2017
First-Principles Free-Energy Barriers for Photoelectrochemical Surface Reactions: Proton Abstraction at TiO_{2}(110)Thomas Stecher, Karsten Reuter, Harald Oberhofer
The Journal of Chemical Physics|December 10, 2008
Effect of the geometric phase on nuclear dynamics at a conical intersection: Extension of a recent topological approach from one to two coupled surfacesStuart C Althorpe, Thomas Stecher, Foudhil Bouakline
The Journal of Chemical Physics|November 4, 2017
Local-metrics error-based Shepard interpolation as surrogate for highly non-linear material models in high dimensionsJuan M Lorenzi, Thomas Stecher, Karsten Reuter, et al.
The Journal of Physical Chemistry Letters|August 16, 2015
Which Is Better at Predicting Quantum-Tunneling Rates: Quantum Transition-State Theory or Free-Energy Instanton Theory?Yanchuan Zhang, Thomas Stecher, Marko T Cvitaš, et al.
Physical Review Letters|April 23, 2016
Thermal and Electronic Fluctuations of Flexible Adsorbed Molecules: Azobenzene on Ag(111)Reinhard J Maurer, Wei Liu, Igor Poltavsky, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|November 21, 2015
Free Energy Surface Reconstruction from Umbrella Samples Using Gaussian Process RegressionThomas Stecher, Noam Bernstein, Gábor Csányi
Physical Review Letters|January 14, 2017
First-Principles Free-Energy Barriers for Photoelectrochemical Surface Reactions: Proton Abstraction at TiO_{2}(110)Thomas Stecher, Karsten Reuter, Harald Oberhofer
The Journal of Chemical Physics|December 10, 2008
Effect of the geometric phase on nuclear dynamics at a conical intersection: Extension of a recent topological approach from one to two coupled surfacesStuart C Althorpe, Thomas Stecher, Foudhil Bouakline
The Journal of Chemical Physics|November 4, 2017
Local-metrics error-based Shepard interpolation as surrogate for highly non-linear material models in high dimensionsJuan M Lorenzi, Thomas Stecher, Karsten Reuter, et al.
The Journal of Physical Chemistry Letters|August 16, 2015
Which Is Better at Predicting Quantum-Tunneling Rates: Quantum Transition-State Theory or Free-Energy Instanton Theory?Yanchuan Zhang, Thomas Stecher, Marko T Cvitaš, et al.
Physical Review Letters|April 23, 2016
Thermal and Electronic Fluctuations of Flexible Adsorbed Molecules: Azobenzene on Ag(111)Reinhard J Maurer, Wei Liu, Igor Poltavsky, et al.
Pageof 1