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Items: 5

1.

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.

2.

Mechanical Vibrations of Atomically Defined Metal Clusters: From Nano- to Molecular-Size Oscillators.

Maioli P, Stoll T, Sauceda HE, Valencia I, Demessence A, Bertorelle F, Crut A, Vallée F, Garzón IL, Cerullo G, Del Fatti N.

Nano Lett. 2018 Nov 14;18(11):6842-6849. doi: 10.1021/acs.nanolett.8b02717. Epub 2018 Oct 1.

PMID:
30247927
3.

SchNet - A deep learning architecture for molecules and materials.

Schütt KT, Sauceda HE, Kindermans PJ, Tkatchenko A, Müller KR.

J Chem Phys. 2018 Jun 28;148(24):241722. doi: 10.1063/1.5019779.

PMID:
29960322
4.

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.

5.

Vibrational properties and specific heat of core-shell Ag-Au icosahedral nanoparticles.

Sauceda HE, Garzón IL.

Phys Chem Chem Phys. 2015 Nov 14;17(42):28054-9. doi: 10.1039/c5cp00232j. Epub 2015 Feb 20.

PMID:
25697903

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