Search research articles
Contact Us
Filters
Showing results (1-10 of 5) with videos related to
Page
of 1
Sort By:
The Journal of Physical Chemistry Letters
|
November 21, 2024
Accelerating Molecular Dynamics Simulations Using Socket-Based Interprocess Communication
Matheus de Oliveira Bispo, Mario Barbatti
Journal of Molecular Modeling
|
April 15, 2022
Long-range parameter optimization for a better description of potential energy surfaces using Density Functional Theory
Matheus de Oliveira Bispo, Demétrio Antônio da Silva Filho
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 4, 2026
Uncertainty Calibration in Molecular Machine Learning: Comparing Evidential and Ensemble Approaches
Bidhan Chandra Garain, Max Pinheiro, Matheus de Oliveira Bispo, et al.
Journal of Chemical Theory and Computation
|
November 11, 2025
MELTS: Fully Automated Active Learning for Fewest-Switches Surface Hopping Dynamics
Matheus de Oliveira Bispo, Rafael Souza Mattos, Max Pinheiro, et al.
Digital Discovery
|
January 31, 2025
ULaMDyn: enhancing excited-state dynamics analysis through streamlined unsupervised learning
Max Pinheiro, Matheus de Oliveira Bispo, Rafael S Mattos, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry Letters
|
November 21, 2024
Accelerating Molecular Dynamics Simulations Using Socket-Based Interprocess Communication
Matheus de Oliveira Bispo, Mario Barbatti
Journal of Molecular Modeling
|
April 15, 2022
Long-range parameter optimization for a better description of potential energy surfaces using Density Functional Theory
Matheus de Oliveira Bispo, Demétrio Antônio da Silva Filho
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 4, 2026
Uncertainty Calibration in Molecular Machine Learning: Comparing Evidential and Ensemble Approaches
Bidhan Chandra Garain, Max Pinheiro, Matheus de Oliveira Bispo, et al.
Journal of Chemical Theory and Computation
|
November 11, 2025
MELTS: Fully Automated Active Learning for Fewest-Switches Surface Hopping Dynamics
Matheus de Oliveira Bispo, Rafael Souza Mattos, Max Pinheiro, et al.
Digital Discovery
|
January 31, 2025
ULaMDyn: enhancing excited-state dynamics analysis through streamlined unsupervised learning
Max Pinheiro, Matheus de Oliveira Bispo, Rafael S Mattos, et al.
Page
of 1