Pickard CJ - Search Results

1

The 2021 room-temperature superconductivity roadmap.

Boeri L, Hennig R, Hirschfeld P, Profeta G, Sanna A, Zurek E, Pickett WE, Amsler M, Dias R, Eremets MI, Heil C, Hemley RJ, Liu H, Ma Y, Pierleoni C, Kolmogorov AN, Rybin N, Novoselov D, Anisimov V, Oganov AR, Pickard CJ, Bi T, Arita R, Errea I, Pellegrini C, Requist R, Gross EKU, Margine ER, Xie SR, Quan Y, Hire A, Fanfarillo L, Stewart GR, Hamlin JJ, Stanev V, Gonnelli RS, Piatti E, Romanin D, Daghero D, Valenti R. Boeri L, et al. Among authors: pickard cj. J Phys Condens Matter. 2022 Mar 3;34(18). doi: 10.1088/1361-648X/ac2864. J Phys Condens Matter. 2022. PMID: 34544070 Review.

2

A density functional study of the 13C NMR chemical shifts in functionalized single-walled carbon nanotubes.

Zurek E, Pickard CJ, Autschbach J. Zurek E, et al. Among authors: pickard cj. J Am Chem Soc. 2007 Apr 11;129(14):4430-9. doi: 10.1021/ja069110h. Epub 2007 Mar 20. J Am Chem Soc. 2007. PMID: 17371025

3

A density functional study of the 13C NMR chemical shifts in fluorinated single-walled carbon nanotubes.

Zurek E, Pickard CJ, Autschbach J. Zurek E, et al. Among authors: pickard cj. J Phys Chem A. 2009 Apr 23;113(16):4117-24. doi: 10.1021/jp810523x. J Phys Chem A. 2009. PMID: 19239235

4

Reactions of xenon with iron and nickel are predicted in the Earth's inner core.

Zhu L, Liu H, Pickard CJ, Zou G, Ma Y. Zhu L, et al. Among authors: pickard cj. Nat Chem. 2014 Jul;6(7):644-8. doi: 10.1038/nchem.1925. Epub 2014 Apr 20. Nat Chem. 2014. PMID: 24950336

5

High-pressure hydrogen sulfide from first principles: a strongly anharmonic phonon-mediated superconductor.

Errea I, Calandra M, Pickard CJ, Nelson J, Needs RJ, Li Y, Liu H, Zhang Y, Ma Y, Mauri F. Errea I, et al. Among authors: pickard cj. Phys Rev Lett. 2015 Apr 17;114(15):157004. doi: 10.1103/PhysRevLett.114.157004. Epub 2015 Apr 16. Phys Rev Lett. 2015. PMID: 25933334 Free article.

6

Backbone NxH compounds at high pressures.

Goncharov AF, Holtgrewe N, Qian G, Hu C, Oganov AR, Somayazulu M, Stavrou E, Pickard CJ, Berlie A, Yen F, Mahmood M, Lobanov SS, Konôpková Z, Prakapenka VB. Goncharov AF, et al. Among authors: pickard cj. J Chem Phys. 2015 Jun 7;142(21):214308. doi: 10.1063/1.4922051. J Chem Phys. 2015. PMID: 26049497

7

Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system.

Errea I, Calandra M, Pickard CJ, Nelson JR, Needs RJ, Li Y, Liu H, Zhang Y, Ma Y, Mauri F. Errea I, et al. Among authors: pickard cj. Nature. 2016 Apr 7;532(7597):81-4. doi: 10.1038/nature17175. Epub 2016 Mar 28. Nature. 2016. PMID: 27018657

8

Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity.

Peng F, Sun Y, Pickard CJ, Needs RJ, Wu Q, Ma Y. Peng F, et al. Among authors: pickard cj. Phys Rev Lett. 2017 Sep 8;119(10):107001. doi: 10.1103/PhysRevLett.119.107001. Epub 2017 Sep 8. Phys Rev Lett. 2017. PMID: 28949166

9

Computational discovery and characterization of new B₂O phases.

Wang J , Li Q , Pickard CJ , Chen C , Ma Y . Wang J , et al. Among authors: pickard cj. Phys Chem Chem Phys. 2019 Jan 30;21(5):2499-2506. doi: 10.1039/c8cp07161f. Phys Chem Chem Phys. 2019. PMID: 30656340

10

Quantum structural fluxion in superconducting lanthanum polyhydride.

Wang H, Salzbrenner PT, Errea I, Peng F, Lu Z, Liu H, Zhu L, Pickard CJ, Yao Y. Wang H, et al. Among authors: pickard cj. Nat Commun. 2023 Mar 25;14(1):1674. doi: 10.1038/s41467-023-37295-1. Nat Commun. 2023. PMID: 36966129 Free PMC article.

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