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Most cited papers from Research Complex at Harwell

What are the most cited papers from Research Complex at Harwell?

The most cited paper from Research Complex at Harwell is "Electron correlations in narrow energy bands" (John P. Hubbard, 1963), with 6,753 citations. Next come "Machine learning for molecular and materials science" (5,033) and "An efficient method for finding the minimum of a function of several variables without calculating derivatives" (4,668).

Showing 50 of 60 papers. Every paper with more than 448 citations is listed.

Most cited papers, sortable by citations and release date
#Paper
1 Electron correlations in narrow energy bands John P. Hubbard · Proceedings of the Royal Society of London A Mathematical and Physical Sciences 26 Nov 1963 6,753
2 Machine learning for molecular and materials science Keith T. Butler, Daniel W. Davies, Hugh Cartwright et al. · Nature Open access Jul 2018 5,033
3 An efficient method for finding the minimum of a function of several variables without calculating derivatives M. J. D. Powell · The Computer Journal Feb 1964 4,668
4 A new approach to variable metric algorithms Roger Fletcher · The Computer Journal Mar 1970 4,132
5 A simple empirical N-body potential for transition metals Michael W. Finnis, J. E. Sinclair · Philosophical magazine. A/Philosophical magazine. A. Physics of condensed matter. Structure, defects and mechanical properties Jul 1984 3,163
6 A unified field theory of mesons and baryons T. H. R. Skyrme · Nuclear Physics Mar 1962 2,597
7 The stability of ionic crystal surfaces Philip W. Tasker · Journal of Physics C Solid State Physics 28 Nov 1979 1,829
8 Nonlinear Programming--Sequential Unconstrained Minimization Techniques M. J. D. Powell · The Computer Journal Aug 1969 1,753
9 Restart procedures for the conjugate gradient method M. J. D. Powell · Mathematical Programming Dec 1977 1,726
10 The Displacement of Atoms in Solids by Radiation G.H. Kinchin, R. S. Pease · Reports on Progress in Physics 1955 1,694
11 A proposed method of calculating displacement dose rates M J Norgett, M. T. Robinson, IAN McC. TORRENS · Nuclear Engineering and Design Aug 1975 1,686
12 The Theory and Practice of Scintillation Counting J. B. Birks, F.W.K. Firk · Physics Today Aug 1965 1,583
13 Systematic and collaborative approach to problem solving using X-ray photoelectron spectroscopy Neal Fairley, Vincent Fernandez, Mireille Richard‐Plouet et al. · Applied Surface Science Advances Open access 15 Jun 2021 1,401
14 Quantitative X-ray tomography Éric Maire, Philip John Withers · International Materials Reviews Open access 5 Nov 2013 1,355
15 DIALS : implementation and evaluation of a new integration package Graeme Winter, David Geoffrey Waterman, James M. Parkhurst et al. · Acta Crystallographica Section D Structural Biology Open access Feb 2018 1,233
16 II. The energy spectrum of ejected atoms during the high energy sputtering of gold M. W. Thompson · Philosophical magazine Aug 1968 1,200
17 Electron correlations in narrow energy bands. II. The degenerate band case John P. Hubbard · Proceedings of the Royal Society of London A Mathematical and Physical Sciences 21 Jan 1964 1,194
18 Designing bimetallic catalysts for a green and sustainable future Meenakshisundaram Sankar, Nikolaos Dimitratos, Peter J. Miedziak et al. · Chemical Society Reviews Review 2012 1,170
19 Collective motion in the nuclear shell model. I. Classification schemes for states of mixed configurations J.P. Elliott · Proceedings of the Royal Society of London A Mathematical and Physical Sciences 6 May 1958 1,009
20 The Galaxy platform for accessible, reproducible, and collaborative data analyses: 2024 update The Galaxy Community et al. · Nucleic Acids Research Open access131 authors 3 May 2024 963
21 The CCP 4 suite: integrative software for macromolecular crystallography Jon Agirre et al. · Acta Crystallographica Section D Structural Biology Open access 4 May 2023 945
22 Oncostatin M drives intestinal inflammation and predicts response to tumor necrosis factor–neutralizing therapy in patients with inflammatory bowel disease Oxford IBD Cohort Investigators et al. · Nature Medicine Open access 3 Apr 2017 840
23 Beyond crystallography: Diffractive imaging using coherent x-ray light sources Jianwei Miao, Tetsuya Ishikawa, Ian Robinson et al. · Science 30 Apr 2015 822
24 In situ X-ray imaging of defect and molten pool dynamics in laser additive manufacturing Chu Lun Alex Leung, Sebastian Marussi, Robert Atwood et al. · Nature Communications Open access 10 Apr 2018 820
25 Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry: Supplement III. IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry Roger Atkinson, Donald L. Baulch, R. Anthony Cox et al. · Journal of Physical and Chemical Reference Data Apr 1989 799
26 Characterizing interstellar filaments with Herschel in IC 5146 D. Arzoumanian et al. · Astronomy and Astrophysics Open access 7 Mar 2011 793
27 The description of collective motions in terms of many-body perturbation theory. II. The correlation energy of a free-electron gas John P. Hubbard · Proceedings of the Royal Society of London A Mathematical and Physical Sciences 14 Jan 1958 783
28 A Method for Minimizing a Sum of Squares of Non-Linear Functions Without Calculating Derivatives M. J. D. Powell · The Computer Journal 1965 761
29 Theoretical and experimental studies on one-dimensional magnetic systems Michael Steiner, Jacques Villain, Colin George Windsor · Advances In Physics Mar 1976 747
30 Electrical phenomena in amorphous oxide films Geoff Dearnaley, A. Marshall Stoneham, David Vernon Morgan · Reports on Progress in Physics Open access Sep 1970 731
31 Natural convection in a square cavity: A comparison exercise Graham de Vahl Davis, I.P. Jones · International Journal for Numerical Methods in Fluids May 1983 715
32 Dislocation movement through random arrays of obstacles A.J.E. Foreman, M. J. Makin · Philosophical magazine Oct 1966 686
33 The rate theory of swelling due to void growth in irradiated metals A. D. Brailsford, R. Bullough · Journal of Nuclear Materials Aug 1972 668
34 X‐CHROMOSOME INACTIVATION AND DEVELOPMENTAL PATTERNS IN MAMMALS Mary Frances Lyon · Biological reviews/Biological reviews of the Cambridge Philosophical Society Review 1972 660
35 An improved N -body semi-empirical model for body-centred cubic transition metals Graeme J. Ackland, R. Thetford · Philosophical magazine. A/Philosophical magazine. A. Physics of condensed matter. Structure, defects and mechanical properties Jul 1987 652
36 The dynamics of methylammonium ions in hybrid organic–inorganic perovskite solar cells Aurélien M. A. Leguy, Jarvist Moore Frost, Andrew P. McMahon et al. · Nature Communications Open access 29 May 2015 649
37 An X-ray study of boron nitride R. S. Pease · Acta Crystallographica Open access 2 May 1952 629
38 Unitary Phase Operator in Quantum Mechanics David Thomas Pegg, Stephen Mark Barnett · Europhysics Letters (EPL) Open access 15 Jul 1988 611
39 The growth of dispersed precipitates in solutions G. W. Greenwood · Acta Metallurgica May 1956 584
40 The relationship between hardness and scratch adhession P. J. Burnett, D.S. Rickerby · Thin Solid Films Nov 1987 574
41 Neutralizing nanobodies bind SARS-CoV-2 spike RBD and block interaction with ACE2 Jiandong Huo et al. · Nature Structural & Molecular Biology Open access 13 Jul 2020 554
42 A finite-element study of the onset of vortex shedding in flow past variously shaped bodies C. Peter Jackson · Journal of Fluid Mechanics Sep 1987 549
43 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease A. Douangamath et al. · Nature Communications Open access 7 Oct 2020 547
44 On the Hermitian Optical Phase Operator Stephen Mark Barnett, David Thomas Pegg · Journal of Modern Optics 1989 543
45 Electron correlations in narrow energy bands - IV. The atomic representation John P. Hubbard · Proceedings of the Royal Society of London A Mathematical and Physical Sciences 11 May 1965 531
46 The description of collective motions in terms of many-body perturbation theory John P. Hubbard · Proceedings of the Royal Society of London A Mathematical and Physical Sciences 16 Jul 1957 526
47 Electronic Structure of Chromium Group Metals W.M. Lomer · Proceedings of the Physical Society Open access Aug 1962 525
48 Formation of filamentous carbon from iron, cobalt and chromium catalyzed decomposition of acetylene Rose M. Baker · Journal of Catalysis Jul 1973 524
49 Best practices in machine learning for chemistry Nongnuch Artrith, Keith T. Butler, François‐Xavier Coudert et al. · Nature Chemistry Open access 31 May 2021 518
50 Identification of single-site gold catalysis in acetylene hydrochlorination Grazia Malta, Simon A. Kondrat, Simon J. Freakley et al. · Science Open access 30 Mar 2017 513

Citations are OpenAlex's own counts, from its 2026-09-23 snapshot, so the ranking can differ from Google Scholar or Web of Science. A paper is listed for an institution when any of its authors gave it as an affiliation; retracted papers and papers whose citation count cannot be traced to citing works are left out, and a preprint and the article it became are shown once. Release dates are OpenAlex's: where a source gave only a month or a year, that is what is shown. How the lists are chosen.