CP
Chris J. Pickard
cond-mat.mtrl-scicond-mat.supr-conphysics.comp-phphysics.chem-phModels, Chemicalcond-mat.stat-mechcrystal structure predictionastro-ph.EPcond-mat.mes-hallQuantum Theory
On Valency
published · living versionsW_fds9nvsg·v1 · currentpublished
Hexagonal structure of phase III of solid hydrogen
with Bartomeu Monserrat, Richard J. Needs, Eugene Gregoryanz
1 version
W_67rqsun4·v1published
W_zwwwaa6s·v1published
W_g5fusvsh·v1published
W_cgkea8qz·v1published
Preprints & journals
278 papers in the corpus · 1996–2026Enhanced Coulomb pseudopotentials in high-pressure hydrides from first principles2610.12563v1 · Kieran Bozier, Chris J. Pickard2026 · 0 citationsarXiv
A low-symmetry ground state of dense two-dimensional hydrogen2609.22440v1 · Cesare Cozza, Chris J. Pickard, Guglielmo Mazzola2026 · 0 citationsarXiv
Controlling the phase behaviour of ultraconfined water via bilayer graphene stacking2606.21490v1 · Yixuan Pu, Benjamin X. Shi, Pavan Ravindra et al.2026 · 0 citationsarXiv
How reproducible are first-principles simulations of liquid water?2605.28798v1 · Niamh ONeill, Benjamin X. Shi, William J. Baldwin et al.2026 · 1 citationarXiv
Benchmarking empirical and machine-learned interatomic potentials using phase diagram predictions for Lead2605.16018v1 · Tom Hellyar, Pascal T. Salzbrenner, Peter I. C. Cooke et al.2026 · 0 citationsarXiv
Building a physics-aware AI ecosystem for solid-state hydrogen storage materials2605.03081v2 · Seong-Hoon Jang, Yiwen Yao, Chuanyu Liu et al.2026 · 2 citationsarXiv
Competing Hydrogenation Pathways to Metastable CaH Revealed by Machine-Learning-Potential Molecular Dynamics2603.08950v1 · Ryuhei Sato, Peter I. C. Cooke, Ma'elie Causs'e et al.2026 · 1 citationarXiv
The path to room-temperature superconductivity: A programmatic approach.41802063 · Prasankumar, Rohit P, Julian, Matthew, Hutcheon, Michael et al.2026 · 3 citationsProceedings of the National Academy of Sciences of the United States of America. 2026;123(11):e2520324123
High-pressure stabilization of Mg2IrH7: Structural proximity to high-Tc superconductivity2602.23675v1 · Shubham Sinha, Wencheng Lu, Mads F. Hansen et al.2026 · 0 citationsarXiv
Inverse Isotope Effect in the Ternary Perovskite Hydride SrPdH/D: A Signature of Quantum Zero-Point Fluctuations2602.23691v1 · Wencheng Lu, Mihir Sahoo, Roman Lucrezi et al.2026 · 0 citationsarXiv
Hydrogen Vacancy Induced Superconductivity Collapse in A15 Lanthanum Hydride.41825004 · Osmond, Israel, Conway, Lewis J, Kuzovnikov, Mikhail A et al.2026 · 3 citationsPhysical review letters. 2026;136(8):086102
Erratum: "Developments and further applications of ephemeral data derived potentials" [J. Chem. Phys. 159, 144801 (2023)].41474451 · Salzbrenner, Pascal T, Joo, Se Hun, Conway, Lewis J et al.2025 · 0 citationsThe Journal of chemical physics. 2025;163(24)
Metastability and high-Tc superconductivity in A15-type ternary hydride YSbH6 at moderate pressure2512.19901v1 · Ma'elie Causs'e, Kieran Bozier, Peter I. C. Cooke et al.2025 · 0 citationsarXiv
Author Correction: The first-principles phase diagram of monolayer nanoconfined water.41331353 · Kapil, Venkat, Schran, Christoph, Zen, Andrea et al.2026 · 1 citationNature. 2025;648(8094):E15
First-principles evidence for conventional superconductivity in a quasicrystal approximant2511.09224v2 · Pedro N. Ferreira, Roman Lucrezi, Sangmin Lee et al.2025 · 1 citationPhys. Rev. B 114, 074512 (2026)
Accelerating Crystal Structure Prediction Using Data-Derived Potentials: High-Pressure Binary Hydrides2509.23476v1 · Lewis J. Conway, Chris J. Pickard2025 · 6 citationsarXiv
High-throughput superconducting predictions through density of states rescaling2508.18371v1 · Kieran Bozier, Kang Wang, Bartomeu Monserrat et al.2025 · 2 citationsarXiv
Prediction of novel gallium-sulfur compositions under pressure.40665877 · Shahsavari, Reza, Pitié, Sylvain, Faraji, Somayeh et al.2025 · 0 citationsPhysical chemistry chemical physics : PCCP. 2025;27(30):16142-16152
Vacancy-free cubic superconducting NbN enabled by quantum anharmonicity2507.03417v1 · Eva Kogler, Mihir R. Sahoo, Chia-Nien Tsai et al.2025 · 3 citationsCommunications Materials 6, 283 (2025)
Fast crystallographic texture mapping of atomically thin hBN films on Ni(111) using secondary electron contrast.40697507 · Babenko, Vitaliy, Joo, Se Hun, Krief, Anastasia P et al.2025 · 2 citationsNanoscale advances. 2025;7(17):5262-5272
Machine Learning simulations reveal oxygen's phase diagram and thermal properties at conditions relevant to white dwarfs.40593793 · Wang, Yunlong, Shi, Jiuyang, Liang, Zhixin et al.2025 · 4 citationsNature communications. 2025;16(1):5504
Distillation of atomistic foundation models across architectures and chemical domains2506.10956v1 · John L. A. Gardner, Daniel F. Thomas du Toit, Chiheb Ben Mahmoud et al.2025 · 8 citationsarXiv
Surface melting-driven hydrogen absorption for high-pressure polyhydride synthesis.40440065 · Sato, Ryuhei, Conway, Lewis J, Zhang, Di et al.2025 · 8 citationsProceedings of the National Academy of Sciences of the United States of America. 2025;122(22):e2413480122
Prediction and Synthesis of MgPtH: A Metallic Complex Transition Metal Hydride Stabilized at Ambient Pressure2505.22546v1 · Wencheng Lu, Michael J. Hutcheon, Mads F. Hansen et al.2025 · 0 citationsarXiv
Upper bounds on the highest phonon frequency and superconducting temperature from fundamental physical constants.40031289 · Trachenko, K, Monserrat, B, Hutcheon, M et al.2025 · 12 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2025;37(16)
Beyond theory-driven discovery: introducing hot random search and datum-derived structures.39297223 · Pickard, Chris J2025 · 16 citationsFaraday discussions. 2025;256(0):61-84
Discovering chemical structure: general discussion.39665275 · Aspuru-Guzik, Alán, Bechtel, Tim, Bernales, Varinia et al.2026 · 1 citationFaraday discussions. 2025;256(0):177-220
Discovering synthesis targets: general discussion.39692150 · Anker, Andy S, Aspuru-Guzik, Alán, Bechtel, Tim et al.2026 · 0 citationsFaraday discussions. 2025;256(0):639-663
The seventh blind test of crystal structure prediction: structure generation methods.39405196 · Hunnisett, Lily M, Nyman, Jonas, Francia, Nicholas et al.2026 · 87 citationsActa crystallographica Section B, Structural science, crystal engineering and materials. 2024
Ultrafast Yttrium Hydride Chemistry at High Pressures via Non-equilibrium States Induced by an X-ray Free Electron Laser.39303208 · Siska, Emily, Smith, G Alexander, Villa-Cortes, Sergio et al.2024 · 12 citationsThe journal of physical chemistry letters. 2024;15(39):9912-9919
The Critical Metallization of Hydrogen in Pressurized LaBeH8 Hydride2408.12297v1 · Zihan Zhang, Tian Cui, Yansun Yao et al.2024 · 0 citationsarXiv
Remarkable stability of γ - N 2 and its prevalence in the nitrogen phase diagram.39014016 · Yan, Jinwei, Dalladay-Simpson, Philip, Conway, Lewis J et al.2024 · 6 citationsScientific reports. 2024;14(1):16394
Beyond theory driven discovery: hot random search and datum derived structures2407.06294v1 · Chris J. Pickard2024 · 0 citationsarXiv
Synthesis of MgIrH: A potential pathway to high- hydride superconductivity at ambient pressure2406.09538v1 · Mads F. Hansen, Lewis J. Conway, Kapildeb Dolui et al.2024 · 24 citationsarXiv
Hydrogen Absorption Promoted by Surface Melting: Guidelines for High-Pressure Superhydride Synthesis10.26434/chemrxiv-2024-2v5l6-v3 · Ryuhei Sato, Lewis Conway, Di Zhang et al.2024 · 0 citationsChemRxiv
Feasible Route to High-Temperature Ambient-Pressure Hydride Superconductivity.38701475 · Dolui, Kapildeb, Conway, Lewis J, Heil, Christoph et al.2024 · 156 citationsPhysical review letters. 2024;132(16):166001
Predicted Complex Lithium Phases at Terapascal Pressures2403.13137v1 · Jack Whaley-Baldwin, Miguel Martinez-Canales, Chris J. Pickard2024 · 1 citationarXiv
Universal insertion of molecules in ionic compounds under pressure.38343648 · Peng, Feng, Ma, Yanming, Pickard, Chris J et al.2024 · 8 citationsNational science review. 2024;11(1):nwae016
Microscopic theory of colour in lutetium hydride.37963870 · Kim, Sun-Woo, Conway, Lewis J, Pickard, Chris J et al.2024 · 22 citationsNature communications. 2023;14(1):7360
Developments and further applications of ephemeral data derived potentials.37815108 · Salzbrenner, Pascal T, Joo, Se Hun, Conway, Lewis J et al.2025 · 43 citationsThe Journal of chemical physics. 2023;159(14)
On the dynamical stability of copper-doped lead apatite2309.11541v3 · Sun-Woo Kim, Kang Wang, Siyu Chen et al.2023 · 15 citationsnpj Computational Materials 10, 16 (2024)
Search for ambient superconductivity in the Lu-N-H system.37666834 · Ferreira, Pedro P, Conway, Lewis J, Cucciari, Alessio et al.2026 · 74 citationsNature communications. 2023;14(1):5367
Excitonic insulator to superconductor phase transition in ultra-compressed helium.37491484 · Liu, Cong, Errea, Ion, Ding, Chi et al.2023 · 10 citationsNature communications. 2023;14(1):4458
Ultra-fast yttrium hydride chemistry at high pressures via non-equilibrium states induced by x-ray free electron laser2307.11293v1 · Emily Siska, G. Alexander Smith, Sergio Villa-Cortes et al.2023 · 0 citationsarXiv
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows2305.17274v1 · Emanuele Bosoni, Louis Beal, Marnik Bercx et al.2023 · 90 citationsNat. Rev. Phys. 6, 45-58 (2024)
Automatic differentiation for orbital-free density functional theory.37003740 · Tan, Chuin Wei, Pickard, Chris J, Witt, William C2023 · 17 citationsThe Journal of chemical physics. 2023;158(12):124801
Quantum structural fluxion in superconducting lanthanum polyhydride.36966129 · Wang, Hui, Salzbrenner, Pascal T, Errea, Ion et al.2023 · 20 citationsNature communications. 2023;14(1):1674
Magnesium oxide-water compounds at megabar pressure and implications on planetary interiors.36859401 · Pan, Shuning, Huang, Tianheng, Vazan, Allona et al.2023 · 36 citationsNature communications. 2023;14(1):1165
Chemical interactions that govern the structures of metals.36787368 · Sun, Yuanhui, Zhao, Lei, Pickard, Chris J et al.2023 · 34 citationsProceedings of the National Academy of Sciences of the United States of America. 2023;120(8):e2218405120
Revealing carbon capture chemistry with 17-oxygen NMR spectroscopy.36522319 · Berge, Astrid H, Pugh, Suzi M, Short, Marion I M et al.2022 · 29 citationsNature communications. 2022;13(1):7763
Career total: at least 648 works. 278 are in this corpus.Showing the 50 most recent.
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