Mario Barbatti

86PUBLICATIONS
191CO-AUTHORS
Theoretical quantum chemistryComputational chemistryRadiation and matterSemi- and unsupervised learningPhotonics, optoelectronics and optical communications
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Publications (86)

|Sep 24, 2026
A data-efficient machine-learning approach for modeling the photodynamics of all-trans hexatriene based on multireference configuration interaction calculations.

|Jul 14, 2026
Perspective on a challenge: Predicting the photochemistry of cyclobutanone.

|Jun 16, 2026
The Newton-X platform for mixed quantum-classical dynamics.

|May 07, 2026
The Hidden Routes of DNA Photostability: Charge and Proton Transfer in Excited Cytosine-Guanine Tetramers.

|Feb 04, 2026
Uncertainty Calibration in Molecular Machine Learning: Comparing Evidential and Ensemble Approaches.

Bidhan Chandra Garain, Max Pinheiro, Matheus de Oliveira Bispo

|Jan 28, 2026
Ultrafast dynamics and excited-state trapping in [3.3]paracyclophane.

Muhammad Tahir Hafeez, Rafael S Mattos, Lea M Ibele

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Frequent Collaborators

26 joint publications

Josene Maria Toldo

17 joint publications

Saikat Mukherjee

13 joint publications

Pavlo O Dral

13 joint publications

Rafael Souza Mattos