Matheus de Oliveira Bispo

5PUBLICATIONS
28CO-AUTHORS
Theoretical quantum chemistrySemi- and unsupervised learningEvolutionary computationAutomated software engineering
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Publications (5)

|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

|Nov 11, 2025
MELTS: Fully Automated Active Learning for Fewest-Switches Surface Hopping Dynamics.

Matheus de Oliveira Bispo, Rafael Souza Mattos, Max Pinheiro

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

Max Pinheiro, Matheus de Oliveira Bispo, Rafael S Mattos

|Nov 21, 2024
Accelerating Molecular Dynamics Simulations Using Socket-Based Interprocess Communication.

Matheus de Oliveira Bispo, Mario Barbatti

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Frequent Collaborators

5 joint publications

Mario Barbatti

3 joint publications

Rafael Souza Mattos

3 joint publications

Max Pinheiro

2 joint publications

Josene M Toldo