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Alexandre Tkatchenko

Showing results (71-80 of 199) with videos related to

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Science (New York, N.Y.)|March 12, 2016
Wavelike charge density fluctuations and van der Waals interactions at the nanoscaleAlberto Ambrosetti, Nicola Ferri, Robert A DiStasio, et al.
The Journal of Physical Chemistry. A|August 2, 2013
Understanding the structure and electronic properties of molecular crystals under pressure: application of dispersion corrected DFT to oligoacenesBohdan Schatschneider, Stephen Monaco, Alexandre Tkatchenko, et al.
Proceedings of the National Academy of Sciences of the United States of America|July 24, 2013
Role of methyl-induced polarization in ion bindingMariana Rossi, Alexandre Tkatchenko, Susan B Rempe, et al.
Annual Review of Physical Chemistry|February 25, 2020
Machine Learning for Molecular SimulationFrank Noé, Alexandre Tkatchenko, Klaus-Robert Müller, et al.
Physical Review Letters|December 15, 2023
Molecules in Environments: Toward Systematic Quantum Embedding of Electrons and Drude OscillatorsMatej Ditte, Matteo Barborini, Leonardo Medrano Sandonas, et al.
Physical Chemistry Chemical Physics : PCCP|August 11, 2023
Data-driven tailoring of molecular dipole polarizability and frontier orbital energies in chemical compound spaceSzabolcs Góger, Leonardo Medrano Sandonas, Carolin Müller, et al.
The Journal of Chemical Physics|March 9, 2021
Challenges for machine learning force fields in reproducing potential energy surfaces of flexible moleculesValentin Vassilev-Galindo, Gregory Fonseca, Igor Poltavsky, et al.
The Journal of Chemical Physics|August 13, 2022
Quantum machine learning corrects classical forcefields: Stretching DNA base pairs in explicit solventJoshua T Berryman, Amirhossein Taghavi, Florian Mazur, et al.
The Journal of Physical Chemistry Letters|June 25, 2021
Interpolating Nonadiabatic Molecular Dynamics Hamiltonian with Artificial Neural NetworksBipeng Wang, Weibin Chu, Alexandre Tkatchenko, et al.
Proceedings of the National Academy of Sciences of the United States of America|August 28, 2012
Collective many-body van der Waals interactions in molecular systemsRobert A DiStasio, O Anatole von Lilienfeld, Alexandre Tkatchenko
Pageof 20

Showing results (71-80 of 199) with videos related to

Sort By:
Pageof 20
Science (New York, N.Y.)|March 12, 2016
Wavelike charge density fluctuations and van der Waals interactions at the nanoscaleAlberto Ambrosetti, Nicola Ferri, Robert A DiStasio, et al.
The Journal of Physical Chemistry. A|August 2, 2013
Understanding the structure and electronic properties of molecular crystals under pressure: application of dispersion corrected DFT to oligoacenesBohdan Schatschneider, Stephen Monaco, Alexandre Tkatchenko, et al.
Proceedings of the National Academy of Sciences of the United States of America|July 24, 2013
Role of methyl-induced polarization in ion bindingMariana Rossi, Alexandre Tkatchenko, Susan B Rempe, et al.
Annual Review of Physical Chemistry|February 25, 2020
Machine Learning for Molecular SimulationFrank Noé, Alexandre Tkatchenko, Klaus-Robert Müller, et al.
Physical Review Letters|December 15, 2023
Molecules in Environments: Toward Systematic Quantum Embedding of Electrons and Drude OscillatorsMatej Ditte, Matteo Barborini, Leonardo Medrano Sandonas, et al.
Physical Chemistry Chemical Physics : PCCP|August 11, 2023
Data-driven tailoring of molecular dipole polarizability and frontier orbital energies in chemical compound spaceSzabolcs Góger, Leonardo Medrano Sandonas, Carolin Müller, et al.
The Journal of Chemical Physics|March 9, 2021
Challenges for machine learning force fields in reproducing potential energy surfaces of flexible moleculesValentin Vassilev-Galindo, Gregory Fonseca, Igor Poltavsky, et al.
The Journal of Chemical Physics|August 13, 2022
Quantum machine learning corrects classical forcefields: Stretching DNA base pairs in explicit solventJoshua T Berryman, Amirhossein Taghavi, Florian Mazur, et al.
The Journal of Physical Chemistry Letters|June 25, 2021
Interpolating Nonadiabatic Molecular Dynamics Hamiltonian with Artificial Neural NetworksBipeng Wang, Weibin Chu, Alexandre Tkatchenko, et al.
Proceedings of the National Academy of Sciences of the United States of America|August 28, 2012
Collective many-body van der Waals interactions in molecular systemsRobert A DiStasio, O Anatole von Lilienfeld, Alexandre Tkatchenko
Pageof 20