Login / Signup
João Morado
ORCID
Publication Activity (10 Years)
Years Active: 2021-2023
Publications (10 Years): 3
Top Topics
Force Field
Case Study
Active Contours
Neural Network
Top Venues
J. Chem. Inf. Model.
CoRR
</>
Publications
</>
João Morado
,
Paul N. Mortenson
,
J. Willem M. Nissink
,
Jonathan W. Essex
,
Chris-Kriton Skylaris
Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins.
J. Chem. Inf. Model.
63 (9) (2023)
Sam Alexander Martino
,
João Morado
,
Chenghao Li
,
Zhenghao Lu
,
Edina Rosta
Large Scale Training of Graph Neural Networks for Optimal Markov-Chain Partitioning Using the Kemeny Constant.
CoRR
(2023)
João Morado
,
Paul N. Mortenson
,
Marcel L. Verdonk
,
Richard A. Ward
,
Jonathan W. Essex
,
Chris-Kriton Skylaris
ParaMol: A Package for Automatic Parameterization of Molecular Mechanics Force Fields.
J. Chem. Inf. Model.
61 (4) (2021)