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Mario Barbatti

Max Planck Society
Aix-Marseille University
University of Vienna

184

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7058

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Molecular excited states through a machine learning lens

2021
- Pavlo O. Dral
- Mario Barbatti
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Citations (14)
Mechanistic Aspects of the Photophysics of UVA Filters Based on Meldrum Derivatives.

2021 Journal of Physical Chemistry A
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How the Size and Density of Charge-Transfer Excitons Depend on Heterojunction’s Architecture

2021 Journal of Physical Chemistry C
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Excitonic and charge transfer interactions in tetracene stacked and T-shaped dimers.

2021 Journal of Chemical Physics
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Choosing the right molecular machine learning potential

2021 ChemRxiv
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Choosing the right molecular machine learning potential

2021 Chemical Science
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MLatom 2: An Integrative Platform for Atomistic Machine Learning.

2021 Topics in Current Chemistry
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Citations (3)
New Generation UV-A Filters: Understanding Their Photodynamics on a Human Skin Mimic.

2021 Journal of Physical Chemistry Letters
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Citations (5)
Velocity Adjustment in Surface Hopping: Ethylene as a Case Study of the Maximum Error Caused by Direction Choice.

2021 Journal of Chemical Theory and Computation
- Mario Barbatti
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Citations (6)
Fewest switches surface hopping with Baeck-An couplings

2021
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