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Alexandre Tkatchenko

Showing results (181-190 of 199) with videos related to

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The Journal of Chemical Physics|August 3, 2017
Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracyYasmine S Al-Hamdani, Mariana Rossi, Dario Alfè, et al.
Nature Materials|June 12, 2019
Quantitative imaging of electric surface potentials with single-atom sensitivityChristian Wagner, Matthew F B Green, Michael Maiworm, et al.
Scientific Data|July 7, 2024
Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like moleculesLeonardo Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, et al.
Science Advances|April 5, 2024
Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragmentsOliver T Unke, Martin Stöhr, Stefan Ganscha, et al.
Chemical Science|September 30, 2017
Powder diffraction and crystal structure prediction identify four new coumarin polymorphsAlexander G Shtukenberg, Qiang Zhu, Damien J Carter, et al.
The Journal of Chemical Physics|October 15, 2025
Accurate noncovalent interactions in atomistic systems via quantum Drude oscillatorsAlmaz Khabibrakhmanov, Dmitry V Fedorov, Alberto Ambrosetti, et al.
Science (New York, N.Y.)|December 11, 2025
In Science JournalsJesse Smith, Jelena Stajic, L Bryan Ray, et al.
Journal of Chemical Theory and Computation|June 20, 2020
Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological SystemsParaskevi Gkeka, Gabriel Stoltz, Amir Barati Farimani, et al.
Chemical Science|February 12, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva, et al.
Chemical Science|February 6, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin, et al.
Pageof 20

Showing results (181-190 of 199) with videos related to

Sort By:
Pageof 20
The Journal of Chemical Physics|August 3, 2017
Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracyYasmine S Al-Hamdani, Mariana Rossi, Dario Alfè, et al.
Nature Materials|June 12, 2019
Quantitative imaging of electric surface potentials with single-atom sensitivityChristian Wagner, Matthew F B Green, Michael Maiworm, et al.
Scientific Data|July 7, 2024
Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like moleculesLeonardo Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, et al.
Science Advances|April 5, 2024
Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragmentsOliver T Unke, Martin Stöhr, Stefan Ganscha, et al.
Chemical Science|September 30, 2017
Powder diffraction and crystal structure prediction identify four new coumarin polymorphsAlexander G Shtukenberg, Qiang Zhu, Damien J Carter, et al.
The Journal of Chemical Physics|October 15, 2025
Accurate noncovalent interactions in atomistic systems via quantum Drude oscillatorsAlmaz Khabibrakhmanov, Dmitry V Fedorov, Alberto Ambrosetti, et al.
Science (New York, N.Y.)|December 11, 2025
In Science JournalsJesse Smith, Jelena Stajic, L Bryan Ray, et al.
Journal of Chemical Theory and Computation|June 20, 2020
Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological SystemsParaskevi Gkeka, Gabriel Stoltz, Amir Barati Farimani, et al.
Chemical Science|February 12, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva, et al.
Chemical Science|February 6, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin, et al.
Pageof 20