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1.

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

Errea, Ion; Calandra, Matteo; Pickard, Chris J; Nelson, Joseph R; Needs, Richard J; Li, Yinwei; Liu, Hanyu; Zhang, Yunwei; Ma, Yanming; Mauri, Francesco.

Nature ; 532(7597): 81-4, 2016 Apr 07.

Article in English | MEDLINE | ID: mdl-27018657

2.

Helium-Iron Compounds at Terapascal Pressures.

Monserrat, Bartomeu; Martinez-Canales, Miguel; Needs, Richard J; Pickard, Chris J.

Phys Rev Lett ; 121(1): 015301, 2018 Jul 06.

Article in English | MEDLINE | ID: mdl-30028166

3.

Evidence from Quantum Monte Carlo Simulations of Large-Gap Superfluidity and BCS-BEC Crossover in Double Electron-Hole Layers.

López Ríos, Pablo; Perali, Andrea; Needs, Richard J; Neilson, David.

Phys Rev Lett ; 120(17): 177701, 2018 Apr 27.

Article in English | MEDLINE | ID: mdl-29756819

4.

Structure and Metallicity of Phase V of Hydrogen.

Monserrat, Bartomeu; Drummond, Neil D; Dalladay-Simpson, Philip; Howie, Ross T; López Ríos, Pablo; Gregoryanz, Eugene; Pickard, Chris J; Needs, Richard J.

Phys Rev Lett ; 120(25): 255701, 2018 Jun 22.

Article in English | MEDLINE | ID: mdl-29979086

5.

Prediction of 10-fold coordinated TiO2 and SiO2 structures at multimegabar pressures.

Lyle, Matthew J; Pickard, Chris J; Needs, Richard J.

Proc Natl Acad Sci U S A ; 112(22): 6898-901, 2015 Jun 02.

Article in English | MEDLINE | ID: mdl-25991859

6.

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

Peng, Feng; Sun, Ying; Pickard, Chris J; Needs, Richard J; Wu, Qiang; Ma, Yanming.

Phys Rev Lett ; 119(10): 107001, 2017 Sep 08.

Article in English | MEDLINE | ID: mdl-28949166

7.

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

Engel, Edgar A; Monserrat, Bartomeu; Needs, Richard J.

J Chem Phys ; 145(4): 044703, 2016 Jul 28.

Article in English | MEDLINE | ID: mdl-27475382

8.

Metallic icosahedron phase of sodium at terapascal pressures.

Li, Yinwei; Wang, Yanchao; Pickard, Chris J; Needs, Richard J; Wang, Yi; Ma, Yanming.

Phys Rev Lett ; 114(12): 125501, 2015 Mar 27.

Article in English | MEDLINE | ID: mdl-25860756

9.

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

Errea, Ion; Calandra, Matteo; Pickard, Chris J; Nelson, Joseph; Needs, Richard J; Li, Yinwei; Liu, Hanyu; Zhang, Yunwei; Ma, Yanming; Mauri, Francesco.

Phys Rev Lett ; 114(15): 157004, 2015 Apr 17.

Article in English | MEDLINE | ID: mdl-25933334

10.

Calcium peroxide from ambient to high pressures.

Nelson, Joseph R; Needs, Richard J; Pickard, Chris J.

Phys Chem Chem Phys ; 17(10): 6889-95, 2015 Mar 14.

Article in English | MEDLINE | ID: mdl-25673010

11.

High-pressure physics: Piling on the pressure.

Pickard, Chris J; Needs, Richard J.

Nature ; 511(7509): 294-5, 2014 Jul 17.

Article in English | MEDLINE | ID: mdl-25030158

12.

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

Engel, Edgar A; Monserrat, Bartomeu; Needs, Richard J.

J Chem Phys ; 143(24): 244708, 2015 Dec 28.

Article in English | MEDLINE | ID: mdl-26723703

13.

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

Monserrat, Bartomeu; Needs, Richard J; Pickard, Chris J.

J Chem Phys ; 141(13): 134113, 2014 Oct 07.

Article in English | MEDLINE | ID: mdl-25296790

14.

Excitations and benchmark ensemble density functional theory for two electrons.

Pribram-Jones, Aurora; Yang, Zeng-Hui; Trail, John R; Burke, Kieron; Needs, Richard J; Ullrich, Carsten A.

J Chem Phys ; 140(18): 18A541, 2014 May 14.

Article in English | MEDLINE | ID: mdl-24832349

15.

Decomposition and Terapascal phases of water ice.

Pickard, Chris J; Martinez-Canales, Miguel; Needs, Richard J.

Phys Rev Lett ; 110(24): 245701, 2013 Jun 14.

Article in English | MEDLINE | ID: mdl-25165937

16.

Excitons and biexcitons in symmetric electron-hole bilayers.

Maezono, Ryo; Ríos, Pablo López; Ogawa, Tetsuo; Needs, Richard J.

Phys Rev Lett ; 110(21): 216407, 2013 May 24.

Article in English | MEDLINE | ID: mdl-23745904

17.

Stable all-nitrogen metallic salt at terapascal pressures.

Sun, Jian; Martinez-Canales, Miguel; Klug, Dennis D; Pickard, Chris J; Needs, Richard J.

Phys Rev Lett ; 111(17): 175502, 2013 Oct 25.

Article in English | MEDLINE | ID: mdl-24206503

18.

Thermodynamically stable phases of carbon at multiterapascal pressures.

Martinez-Canales, Miguel; Pickard, Chris J; Needs, Richard J.

Phys Rev Lett ; 108(4): 045704, 2012 Jan 27.

Article in English | MEDLINE | ID: mdl-22400866

19.

Persistence and eventual demise of oxygen molecules at terapascal pressures.

Sun, Jian; Martinez-Canales, Miguel; Klug, Dennis D; Pickard, Chris J; Needs, Richard J.

Phys Rev Lett ; 108(4): 045503, 2012 Jan 27.

Article in English | MEDLINE | ID: mdl-22400862

20.

High pressure ionic and molecular crystals of ammonia monohydrate within density functional theory.

Griffiths, Gareth I G; Misquitta, Alston J; Fortes, A Dominic; Pickard, Chris J; Needs, Richard J.

J Chem Phys ; 137(6): 064506, 2012 Aug 14.

Article in English | MEDLINE | ID: mdl-22897292

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