Max Pinheiro Júnior

20PUBLICATIONS

59CO-AUTHORS

Theoretical quantum chemistrySemi- and unsupervised learningTheory and design of materialsEvolutionary computationOrganic semiconductors

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Publications (20)

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|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

Hans Lischka

Josene Maria Toldo

Saikat Mukherjee

Francisco B C Machado

5 joint publications

Pavlo O Dral

4 joint publications

Adélia J A Aquino

3 joint publications

Mariana Telles do Casal

3 joint publications

Luiz F A Ferrão

3 joint publications

Fuchun Ge

Frequent Collaborators

12 joint publications

Mario Barbatti

6 joint publications

Hans Lischka

6 joint publications

Josene Maria Toldo

6 joint publications

Saikat Mukherjee