Large scale and linear scaling DFT with the CONQUEST code A Nakata, JS Baker, SY Mujahed, JTL Poulton, S Arapan, J Lin, Z Raza, ...
The Journal of chemical physics 152 (16), 2020
116 2020 The microscopic features of heterogeneous ice nucleation may affect the macroscopic morphology of atmospheric ice crystals SJ Cox, Z Raza, SM Kathmann, B Slater, A Michaelides
Faraday Discussions 167, 389-403, 2013
108 2013 Proton ordering in cubic ice and hexagonal ice; a potential new ice phase—XIc Z Raza, D Alfe, CG Salzmann, J Klimeš, A Michaelides, B Slater
Physical Chemistry Chemical Physics 13 (44), 19788-19795, 2011
87 2011 Effect of salt on the H-bond symmetrization in ice LE Bove, R Gaal, Z Raza, AA Ludl, S Klotz, AM Saitta, AF Goncharov, ...
Proceedings of the National Academy of Sciences 112 (27), 8216-8220, 2015
86 2015 Glycolaldehyde formation via the dimerization of the formyl radical PM Woods, B Slater, Z Raza, S Viti, WA Brown, DJ Burke
The Astrophysical Journal 777 (2), 90, 2013
86 2013 Lattice vibrations change the solid solubility of an alloy at high temperatures N Shulumba, O Hellman, Z Raza, B Alling, J Barrirero, F Mücklich, ...
Physical review letters 117 (20), 205502, 2016
84 2016 High energy density mixed polymeric phase from carbon monoxide and nitrogen Z Raza, CJ Pickard, C Pinilla, AM Saitta
Physical Review Letters 111 (23), 235501, 2013
77 2013 On the formation of glycolaldehyde in dense molecular cores PM Woods, G Kelly, S Viti, B Slater, WA Brown, F Puletti, DJ Burke, ...
The Astrophysical Journal 750 (1), 19, 2012
76 2012 Temperature-dependent elastic properties of Ti1− xAlxN alloys N Shulumba, O Hellman, L Rogström, Z Raza, F Tasnádi, IA Abrikosov, ...
Applied Physics Letters 107 (23), 2015
71 2015 From cellulose to kerogen: molecular simulation of a geological process L Atmani, C Bichara, RJM Pellenq, H Van Damme, ACT Van Duin, Z Raza, ...
Chemical science 8 (12), 8325-8335, 2017
52 2017 Computer simulations of glasses: the potential energy landscape Z Raza, B Alling, IA Abrikosov
Journal of Physics: Condensed Matter 27 (29), 293201, 2015
43 2015 Novel superconducting skutterudite-type phosphorus nitride at high pressure from first-principles calculations Z Raza, I Errea, AR Oganov, AM Saitta
Scientific Reports 4 (1), 5889, 2014
35 2014 Impact of anharmonic effects on the phase stability, thermal transport, and electronic properties of AlN N Shulumba, Z Raza, O Hellman, E Janzén, IA Abrikosov, M Odén
Physical Review B 94 (10), 104305, 2016
29 2016 Highly accurate local basis sets for large-scale DFT calculations in CONQUEST DR Bowler, JS Baker, JTL Poulton, SY Mujahed, J Lin, S Yadav, Z Raza, ...
Japanese Journal of Applied Physics 58 (10), 100503, 2019
26 2019 First-principles calculations of properties of orthorhombic iron carbide Z Raza, N Shulumba, NM Caffrey, L Dubrovinsky, IA Abrikosov
Physical Review B 91 (21), 214112, 2015
25 2015 Structure of liquid carbon dioxide at pressures up to 10 GPa F Datchi, G Weck, AM Saitta, Z Raza, G Garbarino, S Ninet, DK Spaulding, ...
Physical Review B 94 (1), 014201, 2016
20 2016 Universal Structure Predictor: Evolutionary Xtallography AR Oganov, CW Glass, AO Lyakhov, Q Zhu, GR Qian, HT Stokes, ...
Manual 9, 108, 0
3 Anharmonicity changes the solid solubility of a random alloy at high temperatures N Shulumba, O Hellman, Z Raza, B Alling, J Barrirero, F Mücklich, ...
Phys. Rev. Lett 117, 205502, 2016
2 2016 Proton ordering and reactivity of ice Z Raza
UCL (University College London), 2012
2 2012 USPEX: Universal Structure Predictor: Evolutionary Xtallography AR Oganov, CW Glass, AO Lyakhov, HT Stokes, Q Zhu, R Agarwal, ...
2