Чланци са овлашћеним јавним приступом - Chris J. PickardСазнајте више
Изузетих: 9
OptaDOS: A tool for obtaining density of states, core-level and optical spectra from electronic structure codes
AJ Morris, RJ Nicholls, CJ Pickard, JR Yates
Computer Physics Communications 185 (5), 1477-1485, 2014
Овлашћења: UK Engineering and Physical Sciences Research Council, European Commission
Одговорни аутори: JR Yates
Pressure-Stabilized Cubic Perovskite Oxyhydride BaScO2H
Y Goto, C Tassel, Y Noda, O Hernandez, CJ Pickard, MA Green, ...
Inorganic chemistry 56 (9), 4840-4845, 2017
Овлашћења: UK Engineering and Physical Sciences Research Council
Одговорни аутори: H Kageyama
Structures of CdSe and CdS nanoclusters from ab initio random structure searching
L Tan, CJ Pickard, K Yu, A Sapelkin, AJ Misquitta, MT Dove
The Journal of Physical Chemistry C 123 (48), 29370-29378, 2019
Овлашћења: UK Engineering and Physical Sciences Research Council, Royal Society UK
Одговорни аутори: MT Dove
Improving sensitivity and resolution of MQMAS spectra: A 45Sc-NMR case study of scandium sulphate pentahydrate
CV Chandran, J Cuny, R Gautier, L Le Pollès, CJ Pickard, T Bräuniger
Journal of Magnetic Resonance 203 (2), 226-235, 2010
Овлашћења: German Research Foundation
Одговорни аутори: T Bräuniger
Evaluation of 95Mo Nuclear Shielding and Chemical Shift of [Mo6X14]2– Clusters in the Liquid Phase
TT Nguyen, J Jung, X Trivelli, J Trebosc, S Cordier, Y Molard, L Le Polles, ...
Inorganic Chemistry 54 (16), 7673-7683, 2015
Овлашћења: UK Engineering and Physical Sciences Research Council
Одговорни аутори: R Gautier
Structural diversity and hydrogen storage properties in the system K–Si–H
H Xie, T Liang, T Cui, X Feng, H Song, D Li, F Tian, SAT Redfern, ...
Physical Chemistry Chemical Physics 24 (21), 13033-13039, 2022
Овлашћења: National Natural Science Foundation of China, UK Engineering and Physical …
Одговорни аутори: D Duan
Prediction of Thermodynamically Stable Room‐Temperature Superconductors in Li─ Na Hydrides Under High Pressure
D An, LJ Conway, D Duan, Z Zhang, Q Jiang, H Song, Z Huo, CJ Pickard, ...
Advanced Functional Materials, 2418692, 2024
Овлашћења: UK Engineering and Physical Sciences Research Council
Одговорни аутори: T Cui
Suppression of the superconducting phase in new structures of elemental sulfur at terapascal pressures
J Whaley-Baldwin, CJ Pickard
Physical Review B 105 (14), 144105, 2022
Овлашћења: UK Engineering and Physical Sciences Research Council
Одговорни аутори: J Whaley-Baldwin
Multiphase modelling of Pb(Zr1-xTix)O3 structure
A Bogdanov, A Mysovsky, C Pickard, AV Kimmel
Ferroelectrics 520 (1), 1-9, 2017
Овлашћења: UK Engineering and Physical Sciences Research Council, European Commission
Одговорни аутори: AV Kimmel
Доступно негде: 168
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
Овлашћења: US National Science Foundation, US Department of Energy, Swiss National …
Hydrogen clathrate structures in rare earth hydrides at high pressures: possible route to room-temperature superconductivity
F Peng, Y Sun, CJ Pickard, RJ Needs, Q Wu, Y Ma
Physical review letters 119 (10), 107001, 2017
Овлашћења: National Natural Science Foundation of China, UK Engineering and Physical …
Report on the sixth blind test of organic crystal structure prediction methods
AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ...
Structural Science 72 (4), 439-459, 2016
Овлашћења: US National Science Foundation, US Department of Energy, German Research …
Structure prediction drives materials discovery
AR Oganov, CJ Pickard, Q Zhu, RJ Needs
Nature Reviews Materials 4 (5), 331-348, 2019
Овлашћења: US Department of Energy, US Department of Defense, UK Engineering and …
High-pressure hydrogen sulfide from first principles: a strongly anharmonic phonon-mediated superconductor
I Errea, M Calandra, CJ Pickard, J Nelson, RJ Needs, Y Li, H Liu, Y Zhang, ...
Physical review letters 114 (15), 157004, 2015
Овлашћења: National Natural Science Foundation of China, UK Engineering and Physical …
Towards crystal structure prediction of complex organic compounds–a report on the fifth blind test
DA Bardwell, CS Adjiman, YA Arnautova, E Bartashevich, SXM Boerrigter, ...
Structural Science 67 (6), 535-551, 2011
Овлашћења: Austrian Science Fund
Density functional theory in the solid state
PJ Hasnip, K Refson, MIJ Probert, JR Yates, SJ Clark, CJ Pickard
Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2014
Овлашћења: UK Engineering and Physical Sciences Research Council, UK Science and …
Reactions of xenon with iron and nickel are predicted in the Earth's inner core
L Zhu, H Liu, CJ Pickard, G Zou, Y Ma
Nature chemistry 6 (7), 644-648, 2014
Овлашћења: National Natural Science Foundation of China, UK Engineering and Physical …
Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system
I Errea, M Calandra, CJ Pickard, JR Nelson, RJ Needs, Y Li, H Liu, ...
Nature 532 (7597), 81-84, 2016
Овлашћења: US Department of Energy, National Natural Science Foundation of China, UK …
Citrate bridges between mineral platelets in bone
E Davies, KH Müller, WC Wong, CJ Pickard, DG Reid, JN Skepper, ...
Proceedings of the National Academy of Sciences 111 (14), E1354-E1363, 2014
Овлашћења: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
Design principles for high-temperature superconductors with a hydrogen-based alloy backbone at moderate pressure
Z Zhang, T Cui, MJ Hutcheon, AM Shipley, H Song, M Du, VZ Kresin, ...
Physical Review Letters 128 (4), 047001, 2022
Овлашћења: Natural Sciences and Engineering Research Council of Canada, National …
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