Max Pinheiro Júnior

20PUBLICATIONS
59CO-AUTHORS
Theoretical quantum chemistrySemi- and unsupervised learningTheory and design of materialsEvolutionary computationOrganic semiconductors
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Publications (20)

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

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

Bidhan Chandra Garain, Max Pinheiro, Matheus de Oliveira Bispo

|Sep 17, 2025
Machine learning for nonadiabatic molecular dynamics: best practices and recent progress.

Carolin Müller, Štěpán Sršeň, Brigitta Bachmair

|Jan 31, 2025
ULaMDyn: enhancing excited-state dynamics analysis through streamlined unsupervised learning.

Max Pinheiro, Matheus de Oliveira Bispo, Rafael S Mattos

|Jan 06, 2025
Thermally Activated Delayed Fluorescence in B,N-Substituted Tetracene Derivatives: A Theoretical Pathway to Enhanced OLED Materials.

J V M Pimentel, J C V Chagas, M Pinheiro

|Jan 25, 2024
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows.

Pavlo O Dral, Fuchun Ge, Yi-Fan Hou

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Frequent Collaborators

12 joint publications

Mario Barbatti

6 joint publications

Hans Lischka

6 joint publications

Josene Maria Toldo

6 joint publications

Saikat Mukherjee