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Items: 13

1.

Strong coupling superconductivity in a quasiperiodic host-guest structure.

Brown P, Semeniuk K, Wang D, Monserrat B, Pickard CJ, Grosche FM.

Sci Adv. 2018 Apr 13;4(4):eaao4793. doi: 10.1126/sciadv.aao4793. eCollection 2018 Apr.

2.

Electron-phonon coupling from finite differences.

Monserrat B.

J Phys Condens Matter. 2018 Feb 28;30(8):083001. doi: 10.1088/1361-648X/aaa737.

PMID:
29328057
3.

Antiferroelectric Topological Insulators in Orthorhombic AMgBi Compounds (A=Li, Na, K).

Monserrat B, Bennett JW, Rabe KM, Vanderbilt D.

Phys Rev Lett. 2017 Jul 21;119(3):036802. doi: 10.1103/PhysRevLett.119.036802. Epub 2017 Jul 21.

PMID:
28777633
4.

Temperature Dependence of the Energy Levels of Methylammonium Lead Iodide Perovskite from First-Principles.

Saidi WA, Poncé S, Monserrat B.

J Phys Chem Lett. 2016 Dec 15;7(24):5247-5252. Epub 2016 Dec 7.

PMID:
27973908
5.

Temperature Effects in the Band Structure of Topological Insulators.

Monserrat B, Vanderbilt D.

Phys Rev Lett. 2016 Nov 25;117(22):226801. Epub 2016 Nov 22.

PMID:
27925756
6.

Report on the sixth blind test of organic crystal structure prediction methods.

Reilly AM, Cooper RI, Adjiman CS, Bhattacharya S, Boese AD, Brandenburg JG, Bygrave PJ, Bylsma R, Campbell JE, Car R, Case DH, Chadha R, Cole JC, Cosburn K, Cuppen HM, Curtis F, Day GM, DiStasio RA Jr, Dzyabchenko A, van Eijck BP, Elking DM, van den Ende JA, Facelli JC, Ferraro MB, Fusti-Molnar L, Gatsiou CA, Gee TS, de Gelder R, Ghiringhelli LM, Goto H, Grimme S, Guo R, Hofmann DW, Hoja J, Hylton RK, Iuzzolino L, Jankiewicz W, de Jong DT, Kendrick J, de Klerk NJ, Ko HY, Kuleshova LN, Li X, Lohani S, Leusen FJ, Lund AM, Lv J, Ma Y, Marom N, Masunov AE, McCabe P, McMahon DP, Meekes H, Metz MP, Misquitta AJ, Mohamed S, Monserrat B, Needs RJ, Neumann MA, Nyman J, Obata S, Oberhofer H, Oganov AR, Orendt AM, Pagola GI, Pantelides CC, Pickard CJ, Podeszwa R, Price LS, Price SL, Pulido A, Read MG, Reuter K, Schneider E, Schober C, Shields GP, Singh P, Sugden IJ, Szalewicz K, Taylor CR, Tkatchenko A, Tuckerman ME, Vacarro F, Vasileiadis M, Vazquez-Mayagoitia A, Vogt L, Wang Y, Watson RE, de Wijs GA, Yang J, Zhu Q, Groom CR.

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Aug 1;72(Pt 4):439-59. doi: 10.1107/S2052520616007447. Epub 2016 Aug 1.

7.

Vibrational effects on surface energies and band gaps in hexagonal and cubic ice.

Engel EA, Monserrat B, Needs RJ.

J Chem Phys. 2016 Jul 28;145(4):044703. doi: 10.1063/1.4959283.

PMID:
27475382
8.

Quasiparticle and excitonic gaps of one-dimensional carbon chains.

Mostaani E, Monserrat B, Drummond ND, Lambert CJ.

Phys Chem Chem Phys. 2016 Jun 1;18(22):14810-21. doi: 10.1039/c5cp07891a.

PMID:
27104222
9.

Vibrational renormalisation of the electronic band gap in hexagonal and cubic ice.

Engel EA, Monserrat B, Needs RJ.

J Chem Phys. 2015 Dec 28;143(24):244708. doi: 10.1063/1.4938029.

PMID:
26723703
10.

Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures.

Drummond ND, Monserrat B, Lloyd-Williams JH, López Ríos P, Pickard CJ, Needs RJ.

Nat Commun. 2015 Jul 28;6:7794. doi: 10.1038/ncomms8794.

11.

Temperature effects in first-principles solid state calculations of the chemical shielding tensor made simple.

Monserrat B, Needs RJ, Pickard CJ.

J Chem Phys. 2014 Oct 7;141(13):134113. doi: 10.1063/1.4897261.

PMID:
25296790
12.

Dissociation of high-pressure solid molecular hydrogen: a quantum Monte Carlo and anharmonic vibrational study.

Azadi S, Monserrat B, Foulkes WM, Needs RJ.

Phys Rev Lett. 2014 Apr 25;112(16):165501. Epub 2014 Apr 22.

13.

Electron-phonon coupling and the metallization of solid helium at terapascal pressures.

Monserrat B, Drummond ND, Pickard CJ, Needs RJ.

Phys Rev Lett. 2014 Feb 7;112(5):055504. Epub 2014 Feb 7.

PMID:
24580611

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