Format
Sort by

Send to

Choose Destination

Search results

Items: 4

1.

Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forces.

Sauceda HE, Chmiela S, Poltavsky I, Müller KR, Tkatchenko A.

J Chem Phys. 2019 Mar 21;150(11):114102. doi: 10.1063/1.5078687.

PMID:
30901990
2.

Towards exact molecular dynamics simulations with machine-learned force fields.

Chmiela S, Sauceda HE, Müller KR, Tkatchenko A.

Nat Commun. 2018 Sep 24;9(1):3887. doi: 10.1038/s41467-018-06169-2.

3.

Machine learning of accurate energy-conserving molecular force fields.

Chmiela S, Tkatchenko A, Sauceda HE, Poltavsky I, Schütt KT, Müller KR.

Sci Adv. 2017 May 5;3(5):e1603015. doi: 10.1126/sciadv.1603015. eCollection 2017 May.

4.

Quantum-chemical insights from deep tensor neural networks.

Schütt KT, Arbabzadah F, Chmiela S, Müller KR, Tkatchenko A.

Nat Commun. 2017 Jan 9;8:13890. doi: 10.1038/ncomms13890.

Supplemental Content

Loading ...
Support Center