Chris J. Pickard

60.6k total citations · 17 hit papers
316 papers, 48.2k citations indexed

About

Chris J. Pickard is a scholar working on Materials Chemistry, Geophysics and Atomic and Molecular Physics, and Optics. According to data from OpenAlex, Chris J. Pickard has authored 316 papers receiving a total of 48.2k indexed citations (citations by other indexed papers that have themselves been cited), including 184 papers in Materials Chemistry, 125 papers in Geophysics and 85 papers in Atomic and Molecular Physics, and Optics. Recurrent topics in Chris J. Pickard's work include High-pressure geophysics and materials (123 papers), Advanced NMR Techniques and Applications (78 papers) and Advanced Chemical Physics Studies (60 papers). Chris J. Pickard is often cited by papers focused on High-pressure geophysics and materials (123 papers), Advanced NMR Techniques and Applications (78 papers) and Advanced Chemical Physics Studies (60 papers). Chris J. Pickard collaborates with scholars based in United Kingdom, Japan and United States. Chris J. Pickard's co-authors include M. C. Payne, Matthew Segall, P. J. Hasnip, Matt Probert, Stewart J. Clark, R. J. Needs, Keith Refson, Francesco Mauri, Philip J. D. Lindan and Jonathan R. Yates and has published in prestigious journals such as Nature, Chemical Reviews and Proceedings of the National Academy of Sciences.

In The Last Decade

Chris J. Pickard

311 papers receiving 47.1k citations

Hit Papers

5 papers align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

First principles methods using CASTEP

2005 11.9k citations Chris J. Pickard et al. profile →
First-principles simulation: ideas, illustrations and the CASTEP code

2002 10.3k citations Chris J. Pickard et al. profile →
Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane-wave study

2000 1.6k citations Chris J. Pickard et al. profile →
All-electron magnetic response with pseudopotentials: NMR chemical shifts

2001 1.5k citations Chris J. Pickard et al. profile →
Population analysis of plane-wave electronic structure calculations of bulk materials

1996 1.1k citations Chris J. Pickard et al. profile →
Ab initiorandom structure searching

2011 927 citations Chris J. Pickard, R. J. Needs profile →
Calculation of NMR chemical shifts for extended systems using ultrasoft pseudopotentials

2007 840 citations Chris J. Pickard et al. profile →
Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity

2017 649 citations Chris J. Pickard, R. J. Needs et al. profile →
Structure of phase III of solid hydrogen

2007 588 citations Chris J. Pickard, R. J. Needs profile →
High-Pressure Phases of Silane

2006 577 citations Chris J. Pickard, R. J. Needs profile →
Mechanism for linear and nonlinear optical effects inβ−BaB2O4crystals

1999 548 citations Chris J. Pickard et al. profile →
Structure prediction drives materials discovery

2019 509 citations Chris J. Pickard, R. J. Needs et al. profile →
First-Principles Calculation of NMR Parameters Using the Gauge Including Projector Augmented Wave Method: A Chemist’s Point of View

2012 435 citations Chris J. Pickard et al. profile →
Reactions of xenon with iron and nickel are predicted in the Earth's inner core

2014 378 citations Chris J. Pickard et al. profile →
High-Pressure Hydrogen Sulfide from First Principles: A Strongly Anharmonic Phonon-Mediated Superconductor

2015 370 citations Chris J. Pickard, J. Nelson et al. profile →
The first-principles phase diagram of monolayer nanoconfined water

2022 180 citations Venkat Kapil, Christoph Schran et al. Nature profile →
Feasible Route to High-Temperature Ambient-Pressure Hydride Superconductivity

2024 71 citations Kapildeb Dolui, Lewis J. Conway et al. profile →

Peers

Countries citing papers authored by Chris J. Pickard

Since Specialization

Citations

This map shows the geographic impact of Chris J. Pickard's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Chris J. Pickard with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Chris J. Pickard more than expected).

Fields of papers citing papers by Chris J. Pickard

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Chris J. Pickard. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Chris J. Pickard. The network helps show where Chris J. Pickard may publish in the future.

Co-authorship network of co-authors of Chris J. Pickard

This figure shows the co-authorship network connecting the top 25 collaborators of Chris J. Pickard. A scholar is included among the top collaborators of Chris J. Pickard based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Chris J. Pickard. Chris J. Pickard is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

Sort: Min cites: Since: Top N: Style:

20 of 20 papers shown

#	Work	Indexed citations
1	Vacancy-free cubic superconducting NbN enabled by quantum anharmonicity 2025 ·Communications Materials ·(unknown), Mihir Ranjan Sahoo, (unknown), (unknown), (unknown), (unknown), Birgit Kunert, Roland Resel, Chris J. Pickard, Matthew Julian, Rohit P. Prasankumar, Mahmoud I. Hussein, Christoph Heil	0
2	Prediction and synthesis of Mg4Pt3H6: A superconducting complex transition metal hydride stabilized at ambient pressure 2025 ·Physical review. B. ·(unknown), (unknown), (unknown), Kapildeb Dolui, (unknown), Mihir Ranjan Sahoo, Chris J. Pickard, Christoph Heil, Anna Pakhomova, Mohamed Mézouar, Dominik Daisenberger, Stella Chariton, Vitali B. Prakapenka, Matthew Julian, Rohit P. Prasankumar, Timothy A. Strobel	0
3	Remarkable stability of $$\gamma$$-$$N_2$$ and its prevalence in the nitrogen phase diagram 2024 ·Scientific Reports ·(unknown), Philip Dalladay‐Simpson, Lewis J. Conway, Federico A. Gorelli, Chris J. Pickard, Xiaodi Liu, Eugene Gregoryanz	2
4	Search for ambient superconductivity in the Lu-N-H system 2023 ·Nature Communications ·(unknown), Lewis J. Conway, (unknown), Simone Di Cataldo, (unknown), (unknown), Luiz T. F. Eleno, Chris J. Pickard, Christoph Heil, Lilia Boeri	53
5	Automatic differentiation for orbital-free density functional theory 2023 ·The Journal of Chemical Physics ·(unknown), Chris J. Pickard, William C. Witt	12
6	Developments and further applications of ephemeral data derived potentials 2023 ·The Journal of Chemical Physics ·(unknown), Se Hun Joo, Lewis J. Conway, (unknown), Bonan Zhu, (unknown), William C. Witt, Chris J. Pickard	17
7	Structural diversity and hydrogen storage properties in the system K–Si–H 2022 ·Physical Chemistry Chemical Physics ·Hui Xie, (unknown), Tian Cui, Xiaolei Feng, Hao Song, Da Li, Fubo Tian, Simon A. T. Redfern, Chris J. Pickard, Defang Duan	6
8	The first-principles phase diagram of monolayer nanoconfined water breakdown → 2022 ·Nature ·Venkat Kapil, Christoph Schran, Andrea Zen, Ji Chen, Chris J. Pickard, Angelos Michaelides	180
9	Revisiting metal fluorides as lithium-ion battery cathodes 2021 ·Nature Materials ·Xiao Hua, Alexander S. Eggeman, Elizabeth Castillo‐Martínez, Rosa Robert, Harry S. Geddes, Ziheng Lu, Chris J. Pickard, Wei Meng, Kamila M. Wiaderek, Nathalie Pereira, Glenn G. Amatucci, Paul A. Midgley, Karena W. Chapman, Ullrich Steiner, Andrew L. Goodwin, Clare P. Grey	173
10	Superionic iron oxide–hydroxide in Earth’s deep mantle 2021 ·Nature Geoscience ·Mingqiang Hou, Yu He, Bo Gyu Jang, (unknown), Yukai Zhuang, Liwei Deng, Ruilian Tang, Jiuhua Chen, Feng Ke, Yue Meng, Vitali B. Prakapenka, Bin Chen, Ji Hoon Shim, Jin Liu, Duck Young Kim, Qingyang Hu, Chris J. Pickard, R. J. Needs, Ho‐kwang Mao	48
11	The discontinuous effect of pressure on twin boundary strength in MgO 2020 ·Physics and Chemistry of Minerals ·(unknown), Georg Schusteritsch, John P. Brodholt, D. P. Dobson, Chris J. Pickard	3
12	Superconducting Zirconium Polyhydrides at Moderate Pressures 2020 ·The Journal of Physical Chemistry Letters ·Hui Xie, Wenting Zhang, Defang Duan, Xiaoli Huang, Yanping Huang, Hao Song, Xiaolei Feng, Yansun Yao, Chris J. Pickard, Tian Cui	30
13	Identifying aspirin polymorphs from combined DFT‐based crystal structure prediction and solid‐state NMR 2020 ·Magnetic Resonance in Chemistry ·Renny Mathew, (unknown), (unknown), Chris J. Pickard, Maria Baias	10
14	Efficient prediction of nucleus independent chemical shifts for polycyclic aromatic hydrocarbons 2020 ·Physical Chemistry Chemical Physics ·(unknown), Albert P. Bartók, Chris J. Pickard, Alexander C. Forse, Céline Merlet	10
15	Computationally Directed Discovery of MoBi₂ 2020 ·Journal of the American Chemical Society ·Alison B. Altman, (unknown), Nathan Z. Koocher, Yue Meng, Chris J. Pickard, James P. S. Walsh, James M. Rondinelli, Steven D. Jacobsen, Danna E. Freedman	18
16	Strong coupling superconductivity in a quasiperiodic host-guest structure 2018 ·Science Advances ·Philip A. Brown, (unknown), Diandian Wang, Bartomeu Monserrat, Chris J. Pickard, F. M. Grosche	24
17	Pressure‐Tuneable Visible‐Range Band Gap in the Ionic Spinel Tin Nitride 2018 ·Angewandte Chemie ·(unknown), (unknown), D. F. Smith, Daniel Sneed, (unknown), (unknown), Changyong Park, Jesse S. Smith, Eunja Kim, (unknown), Andrew L. Hector, Chris J. Pickard, José A. Flores‐Livas, Ashkan Salamat	3
18	Pressure‐Tuneable Visible‐Range Band Gap in the Ionic Spinel Tin Nitride 2018 ·Angewandte Chemie International Edition ·(unknown), (unknown), D. F. Smith, Daniel Sneed, (unknown), (unknown), Changyong Park, Jesse S. Smith, Eunja Kim, (unknown), Andrew L. Hector, Chris J. Pickard, José A. Flores‐Livas, Ashkan Salamat	25
19	Investigating Sodium Storage Mechanisms in Tin Anodes: A Combined Pair Distribution Function Analysis, Density Functional Theory, and Solid-State NMR Approach 2017 ·Journal of the American Chemical Society ·Joshua M. Stratford, Martin Mayo, Phoebe K. Allan, Oliver Pecher, Olaf J. Borkiewicz, Kamila M. Wiaderek, Karena W. Chapman, Chris J. Pickard, Andrew J. Morris, Clare P. Grey	122
20	Calcium peroxide from ambient to high pressures 2015 ·UCL Discovery (University College London) ·J. Nelson, R. J. Needs, Chris J. Pickard	20

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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