João Morado

According to our database, João Morado authored at least 3 papers between 2021 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2023

Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins.

João Morado, Paul N. Mortenson, J. Willem M. Nissink, Jonathan W. Essex, Chris-Kriton Skylaris

J. Chem. Inf. Model., May, 2023

Large Scale Training of Graph Neural Networks for Optimal Markov-Chain Partitioning Using the Kemeny Constant.

Sam Alexander Martino, João Morado, Chenghao Li, Zhenghao Lu, Edina Rosta

CoRR, 2023

2021

ParaMol: A Package for Automatic Parameterization of Molecular Mechanics Force Fields.

João Morado, Paul N. Mortenson, Marcel L. Verdonk, Richard A. Ward, Jonathan W. Essex, Chris-Kriton Skylaris

J. Chem. Inf. Model., 2021