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Items: 7

1.

Quantum tunneling of thermal protons through pristine graphene.

Poltavsky I, Zheng L, Mortazavi M, Tkatchenko A.

J Chem Phys. 2018 May 28;148(20):204707. doi: 10.1063/1.5024317.

PMID:
29865849
2.

Perturbed path integrals in imaginary time: Efficiently modeling nuclear quantum effects in molecules and materials.

Poltavsky I, DiStasio RA Jr, Tkatchenko A.

J Chem Phys. 2018 Mar 14;148(10):102325. doi: 10.1063/1.5006596.

PMID:
29544321
3.

[Modern conception of the pathogenesis of neurodegenerative diseases and therapeutic strategy].

Litvinenko IV, Krasakov IV, Bisaga GN, Skulyabin DI, Poltavsky ID.

Zh Nevrol Psikhiatr Im S S Korsakova. 2017;117(6. Vyp. 2):3-10. doi: 10.17116/jnevro2017117623-10. Russian.

PMID:
28980606
4.

[MRI morphometry of neuroplastic changes in the brain after conservative treatment of traumatic brachial plexopathy].

Zhivolupov SA, Gnevyshev EN, Trufanov AG, Voronkov LV, Jurin AA, Rashidov NA, Samartsev IN, Poltavsky ID.

Zh Nevrol Psikhiatr Im S S Korsakova. 2017;117(1. Vyp. 2):14-27. doi: 10.17116/jnevro20171171214-27. Russian.

PMID:
28514330
5.

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.

6.

Thermal and Electronic Fluctuations of Flexible Adsorbed Molecules: Azobenzene on Ag(111).

Maurer RJ, Liu W, Poltavsky I, Stecher T, Oberhofer H, Reuter K, Tkatchenko A.

Phys Rev Lett. 2016 Apr 8;116(14):146101. doi: 10.1103/PhysRevLett.116.146101. Epub 2016 Apr 8.

PMID:
27104719
7.

Modeling quantum nuclei with perturbed path integral molecular dynamics.

Poltavsky I, Tkatchenko A.

Chem Sci. 2016 Feb 1;7(2):1368-1372. doi: 10.1039/c5sc03443d. Epub 2015 Oct 30.

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