Christopher James PickardPrincipal Investigator, Ph.D.

Job | Principal Investigator, AIMR Sir Alan Cottrell Professor of Materials Science, University of Cambridge |
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Group | Mathematical Science Group |
Laboratory | C. Pickard Laboratory![]() |
Address | Department of Materials Science & Metallurgy University of Cambridge 27 Charles Babbage Road Cambridge CB3 0FS |
Tel | +44 (0)1223 334338 |
cjp20@cam.ac.uk | |
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Research Interests
- Theoretical spectroscopy – first principles theories of core level, optical and magnetic resonance spectroscopy
- Development of electronic structure methods – the CASTEP plane wave pseudo-potential code
- First principles structure prediction – Ab initio random structure searching (AIRSS), from crystals to clusters, defects, grain boundaries and interfaces
- Matter under extreme conditions – high pressure structure and electronic properties (superconductivity) in hydrogen, and hydrogen containing compounds
Main Publication List
- Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure. Agnès Dewaele, Nicholas Worth, Chris J. Pickard, Richard J. Needs, Sakura Pascarelli, Olivier Mathon, Mohamed Mezouar & Tetsuo Irifune, Nature Chemistry 8, 784–790 (2016)
- Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system. Ion Errea, Matteo Calandra, Chris J. Pickard, Joseph R. Nelson, Richard J. Needs, Yinwei Li, Hanyu Liu, Yunwei Zhang, Yanming Ma & Francesco Mauri, Nature 532, 81–84 (2016)
- Reproducibility in density functional theory calculations of solids. Kurt Lejaeghere, et al. Science Vol. 351, Issue 6280 (2016)
- Synthesis of sodium polyhydrides at high pressures. Viktor V. Struzhkin, Duck Young Kim, Elissaios Stavrou, Takaki Muramatsu, Ho-kwang Mao, Chris J. Pickard, Richard J. Needs, Vitali B. Prakapenka & Alexander F. Goncharov, Nature Communications 7, Article number: 12267 (2016)
- Single-Layered Hittorf’s Phosphorus: A Wide-Bandgap High Mobility 2D Material. Georg Schusteritsch, Martin Uhrin, & Chris J. Pickard, Nano Lett., 2016, 16 (5), pp 2975–2980 (2016)
Award
- EPSRC Advanced Fellowship (2002)
- Fellow of the Institute of Physics (2007)
- EPSRC Leadership Fellowship (2008)
- Royal Society Wolfson Research Merit Award (2015)
- IoP Rayleigh Medal and Prize (2015)
Related Information
- 06/28/2021 Research Highlights Grain-boundary structure: When microscopy and theory stretch beyond two dimensions
- 03/26/2018 In the Spotlight New beginnings in materials science and spintronics