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1.
Artificial Intelligence Applied to Battery Research: Hype or Reality?
Chem Rev
; 122(12): 10899-10969, 2022 06 22.
Article
in English
| MEDLINE | ID: mdl-34529918
2.
Graph neural network interatomic potential ensembles with calibrated aleatoric and epistemic uncertainty on energy and forces.
Phys Chem Chem Phys
; 25(37): 25828-25837, 2023 Sep 27.
Article
in English
| MEDLINE | ID: mdl-37724552
3.
Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT.
J Chem Inf Model
; 62(19): 4727-4735, 2022 Oct 10.
Article
in English
| MEDLINE | ID: mdl-36111852
4.
Machine learning-based screening of complex molecules for polymer solar cells.
J Chem Phys
; 148(24): 241735, 2018 Jun 28.
Article
in English
| MEDLINE | ID: mdl-29960358
5.
Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra.
Adv Sci (Weinh)
; 6(9): 1801367, 2019 May 03.
Article
in English
| MEDLINE | ID: mdl-31065514
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