Christopher James Pickard主任研究者 Ph.D.
| 職名 | AIMR主任研究者 Sir Alan Cottrell Professor of Materials Science, University of Cambridge President and Fellow, Christ’s College, University of Cambridge |
|---|---|
| グループ | 数学連携グループ |
| 研究室 | Materials Theory Group |
| 所在地 | Department of Materials Science & Metallurgy, University of Cambridge 27 Charles Babbage Road, Cambridge CB3 0FS |
| cjp20@cam.ac.uk |
研究テーマ
- Machine-learned interatomic potentials – ephemeral data-derived potentials (EDDPs)
- Ab initio random structure searching (AIRSS) and first-principles crystal structure prediction
- Computational discovery and design of functional materials – battery electrodes, pharmaceutical solids and superconductors
- Matter under extreme conditions – dense hydrides, high-temperature superconductivity and planetary interiors
- First-principles theory of NMR and EPR spectroscopy in solids
主要業績
- Ab initio random structure searching. C. J. Pickard & R. J. Needs, Journal of Physics: Condensed Matter 23, 053201 (2011)
- Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system. I. Errea, M. Calandra, C. J. Pickard, J. R. Nelson, R. J. Needs, Y. Li, H. Liu, Y. Zhang, Y. Ma & F. Mauri, Nature 532, 81–84 (2016)
- Reproducibility in density functional theory calculations of solids. K. Lejaeghere et al., Science 351, Issue 6280 (2016)
- Ephemeral data derived potentials for random structure search. C. J. Pickard, Physical Review B 106, 014102 (2022)
- Beyond theory-driven discovery: introducing hot random search and datum-derived structures. C. J. Pickard, Faraday Discussions 256, 61 (2025)
受賞歴
- Fellow of the Institute of Physics (2007)
- Royal Society Wolfson Research Merit Award (2015)
- IoP Rayleigh Medal and Prize (2015)
関連情報
- 2025年06月02日 プレスリリース 機械学習が解き明かす新たな水素化反応メカニズム
- 2021年07月26日 リサーチハイライト 粒界構造: 最先端の電子顕微鏡法と理論計算で特異機能の起源に迫る
- 2018年04月23日 スポットライト 材料科学とスピントロニクスの新たな始まり