These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
8. Ab initio quantum chemistry with neural-network wavefunctions. Hermann J; Spencer J; Choo K; Mezzacapo A; Foulkes WMC; Pfau D; Carleo G; Noé F Nat Rev Chem; 2023 Oct; 7(10):692-709. PubMed ID: 37558761 [TBL] [Abstract][Full Text] [Related]
9. Towards exact molecular dynamics simulations with machine-learned force fields. Chmiela S; Sauceda HE; Müller KR; Tkatchenko A Nat Commun; 2018 Sep; 9(1):3887. PubMed ID: 30250077 [TBL] [Abstract][Full Text] [Related]
10. Recent advances toward a general purpose linear-scaling quantum force field. Giese TJ; Huang M; Chen H; York DM Acc Chem Res; 2014 Sep; 47(9):2812-20. PubMed ID: 24937206 [TBL] [Abstract][Full Text] [Related]
11. Accurate global machine learning force fields for molecules with hundreds of atoms. Chmiela S; Vassilev-Galindo V; Unke OT; Kabylda A; Sauceda HE; Tkatchenko A; Müller KR Sci Adv; 2023 Jan; 9(2):eadf0873. PubMed ID: 36630510 [TBL] [Abstract][Full Text] [Related]
12. Toward Fast and Reliable Potential Energy Surfaces for Metallic Pt Clusters by Hierarchical Delta Neural Networks. Sun G; Sautet P J Chem Theory Comput; 2019 Oct; 15(10):5614-5627. PubMed ID: 31465216 [TBL] [Abstract][Full Text] [Related]
13. Learning a Local-Variable Model of Aromatic and Conjugated Systems. Matlock MK; Dang NL; Swamidass SJ ACS Cent Sci; 2018 Jan; 4(1):52-62. PubMed ID: 29392176 [TBL] [Abstract][Full Text] [Related]