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Chemical Reviews
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November 9, 2022
Recent Progress in Electro- and Photocatalyst Discovery with Machine Learning
Philipp Marquetand
Chemical Reviews
|
November 19, 2020
Machine Learning for Electronically Excited States of Molecules
Julia Westermayr, Philipp Marquetand
The Journal of Chemical Physics
|
September 4, 2007
Local control theory applied to molecular photoassociation
Philipp Marquetand, Volker Engel
Journal of Chemical Theory and Computation
|
November 18, 2015
High-Dimensional Neural Network Potentials for Organic Reactions and an Improved Training Algorithm
Michael Gastegger, Philipp Marquetand
Physical Chemistry Chemical Physics : PCCP
|
January 17, 2015
A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
Federico Latorre, Julien Guthmuller, Philipp Marquetand
Chemical Science
|
November 18, 2017
Machine learning molecular dynamics for the simulation of infrared spectra
Michael Gastegger, Jörg Behler, Philipp Marquetand
The Journal of Chemical Physics
|
February 8, 2013
Resonance Raman spectra of ortho-nitrophenol calculated by real-time time-dependent density functional theory
Martin Thomas, Federico Latorre, Philipp Marquetand
Wiley Interdisciplinary Reviews. Computational Molecular Science
|
November 20, 2018
Nonadiabatic dynamics: The SHARC approach
Sebastian Mai, Philipp Marquetand, Leticia González
The Journal of Physical Chemistry Letters
|
April 21, 2020
Combining SchNet and SHARC: The SchNarc Machine Learning Approach for Excited-State Dynamics
Julia Westermayr, Michael Gastegger, Philipp Marquetand
Angewandte Chemie (International Ed. in English)
|
April 28, 2018
Machine Learning for Organic Synthesis: Are Robots Replacing Chemists?
Boris Maryasin, Philipp Marquetand, Nuno Maulide
Page
of 7
Search research articles
Search
Showing results (1-10 of 65) with videos related to
Sort By:
Page
of 7
Chemical Reviews
|
November 9, 2022
Recent Progress in Electro- and Photocatalyst Discovery with Machine Learning
Philipp Marquetand
Chemical Reviews
|
November 19, 2020
Machine Learning for Electronically Excited States of Molecules
Julia Westermayr, Philipp Marquetand
The Journal of Chemical Physics
|
September 4, 2007
Local control theory applied to molecular photoassociation
Philipp Marquetand, Volker Engel
Journal of Chemical Theory and Computation
|
November 18, 2015
High-Dimensional Neural Network Potentials for Organic Reactions and an Improved Training Algorithm
Michael Gastegger, Philipp Marquetand
Physical Chemistry Chemical Physics : PCCP
|
January 17, 2015
A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
Federico Latorre, Julien Guthmuller, Philipp Marquetand
Chemical Science
|
November 18, 2017
Machine learning molecular dynamics for the simulation of infrared spectra
Michael Gastegger, Jörg Behler, Philipp Marquetand
The Journal of Chemical Physics
|
February 8, 2013
Resonance Raman spectra of ortho-nitrophenol calculated by real-time time-dependent density functional theory
Martin Thomas, Federico Latorre, Philipp Marquetand
Wiley Interdisciplinary Reviews. Computational Molecular Science
|
November 20, 2018
Nonadiabatic dynamics: The SHARC approach
Sebastian Mai, Philipp Marquetand, Leticia González
The Journal of Physical Chemistry Letters
|
April 21, 2020
Combining SchNet and SHARC: The SchNarc Machine Learning Approach for Excited-State Dynamics
Julia Westermayr, Michael Gastegger, Philipp Marquetand
Angewandte Chemie (International Ed. in English)
|
April 28, 2018
Machine Learning for Organic Synthesis: Are Robots Replacing Chemists?
Boris Maryasin, Philipp Marquetand, Nuno Maulide
Page
of 7