Publications by authors named "Chris Pickard"

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Author Correction: The first-principles phase diagram of monolayer nanoconfined water.
Venkat Kapil, Christoph Schran, Andrea Zen, Ji Chen, Chris J Pickard

Nature· December 2025

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Erratum: "Developments and further applications of ephemeral data derived potentials" [J. Chem. Phys. 159, 144801 (2023)].
Pascal T Salzbrenner, Se Hun Joo, Lewis J Conway, Peter I C Cooke, Bonan Zhu, Chris J Pickard

J Chem Phys· December 2025

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Fast crystallographic texture mapping of atomically thin hBN films on Ni(111) using secondary electron contrast.
Vitaliy Babenko, Se Hun Joo, Anastasia P Krief, Evan Tillotson, Sarah J Haigh, Chris J Pickard

Nanoscale Adv· August 2025

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Machine Learning simulations reveal oxygen's phase diagram and thermal properties at conditions relevant to white dwarfs.
Yunlong Wang, Jiuyang Shi, Zhixin Liang, Tianheng Huang, Junjie Wang, Chris J Pickard

Nat Commun· July 2025

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Prediction of novel gallium-sulfur compositions under pressure.
Reza Shahsavari, Sylvain Pitié, Somayeh Faraji, Lewis J Conway, Chris J Pickard

Phys Chem Chem Phys· July 2025

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Surface melting-driven hydrogen absorption for high-pressure polyhydride synthesis.
Ryuhei Sato, Lewis J Conway, Di Zhang, Chris J Pickard, Kazuto Akagi

Proc Natl Acad Sci U S A· June 2025

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Upper bounds on the highest phonon frequency and superconducting temperature from fundamental physical constants.
K Trachenko, B Monserrat, M Hutcheon, Chris J Pickard

J Phys Condens Matter· March 2025

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Beyond theory-driven discovery: introducing hot random search and datum-derived structures.
Chris J Pickard

Faraday Discuss· January 2025

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Discovering chemical structure: general discussion.
Alán Aspuru-Guzik, Tim Bechtel, Varinia Bernales, Philip C Biggin, Filippo Bigi, Chris J Pickard

Faraday Discuss· January 2025

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Discovering synthesis targets: general discussion.
Andy S Anker, Alán Aspuru-Guzik, Tim Bechtel, Filippo Bigi, Ksenia R Briling, Chris J Pickard

Faraday Discuss· January 2025

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The seventh blind test of crystal structure prediction: structure generation methods.
Lily M Hunnisett, Jonas Nyman, Nicholas Francia, Nathan S Abraham, Claire S Adjiman, Chris J Pickard

Acta Crystallogr B Struct Sci Cryst Eng Mater· December 2024

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Ultrafast Yttrium Hydride Chemistry at High Pressures via Non-equilibrium States Induced by an X-ray Free Electron Laser.
Emily Siska, G Alexander Smith, Sergio Villa-Cortes, Lewis J Conway, Rachel J Husband, Chris J Pickard

J Phys Chem Lett· October 2024

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Remarkable stability of - and its prevalence in the nitrogen phase diagram.
Jinwei Yan, Philip Dalladay-Simpson, Lewis J Conway, Federico Gorelli, Chris Pickard

Sci Rep· July 2024

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Feasible Route to High-Temperature Ambient-Pressure Hydride Superconductivity.
Kapildeb Dolui, Lewis J Conway, Christoph Heil, Timothy A Strobel, Rohit P Prasankumar, Chris J Pickard

Phys Rev Lett· April 2024

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Universal insertion of molecules in ionic compounds under pressure.
Feng Peng, Yanming Ma, Chris J Pickard, Hanyu Liu, Maosheng Miao

Natl Sci Rev· January 2024

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Microscopic theory of colour in lutetium hydride.
Sun-Woo Kim, Lewis J Conway, Chris J Pickard, G Lucian Pascut, Bartomeu Monserrat

Nat Commun· November 2023

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Developments and further applications of ephemeral data derived potentials.
Pascal T Salzbrenner, Se Hun Joo, Lewis J Conway, Peter I C Cooke, Bonan Zhu, Chris J Pickard

J Chem Phys· October 2023

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Search for ambient superconductivity in the Lu-N-H system.
Pedro P Ferreira, Lewis J Conway, Alessio Cucciari, Simone Di Cataldo, Federico Giannessi, Chris J Pickard

Nat Commun· September 2023

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Excitonic insulator to superconductor phase transition in ultra-compressed helium.
Cong Liu, Ion Errea, Chi Ding, Chris Pickard, Lewis J Conway

Nat Commun· July 2023

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Magnesium oxide-water compounds at megabar pressure and implications on planetary interiors.
Shuning Pan, Tianheng Huang, Allona Vazan, Zhixin Liang, Cong Liu, Chris J Pickard

Nat Commun· March 2023

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Quantum structural fluxion in superconducting lanthanum polyhydride.
Hui Wang, Pascal T Salzbrenner, Ion Errea, Feng Peng, Ziheng Lu, Chris J Pickard

Nat Commun· March 2023

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Automatic differentiation for orbital-free density functional theory.
Chuin Wei Tan, Chris J Pickard, William C Witt

J Chem Phys· March 2023

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Chemical interactions that govern the structures of metals.
Yuanhui Sun, Lei Zhao, Chris J Pickard, Russell J Hemley, Yonghao Zheng

Proc Natl Acad Sci U S A· February 2023

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Revealing carbon capture chemistry with 17-oxygen NMR spectroscopy.
Astrid H Berge, Suzi M Pugh, Marion I M Short, Chanjot Kaur, Ziheng Lu, Chris J Pickard

Nat Commun· December 2022

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Metallic Aluminum Suboxides with Ultrahigh Electrical Conductivity at High Pressure.
Tianheng Huang, Cong Liu, Junjie Wang, Shuning Pan, Yu Han, Chris J Pickard

Research (Wash D C)· August 2022

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