Field · Materials Science
Most cited papers in Materials Science
What are the most cited papers in Materials Science?
The most cited paper in Materials Science is "A short history of SHELX" (George M. Sheldrick, 2007), with 87,903 citations. Next come "From ultrasoft pseudopotentials to the projector augmented-wave method" (85,965) and "VMD: Visual molecular dynamics" (68,537).
Showing 50 of 99 papers. Every paper with more than 11,601 citations is listed.
| # | Paper | ||
|---|---|---|---|
| 1 | A short history of SHELX George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography | 21 Dec 2007 | 87,903 |
| 2 | From ultrasoft pseudopotentials to the projector augmented-wave method Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter | 15 Jan 1999 | 85,965 |
| 3 | VMD: Visual molecular dynamics William F Humphrey Jr, Andrew Dalke, Klaus J. Schulten · Journal of Molecular Graphics | Feb 1996 | 68,537 |
| 4 | Electric Field Effect in Atomically Thin Carbon Films Kostya S. Novoselov, Andre K. Geim, С. В. Морозов et al. · Science | 21 Oct 2004 | 66,991 |
| 5 | UCSF Chimera—A visualization system for exploratory research and analysis Eric F. Pettersen, Thomas D. Goddard, Conrad C. Huang et al. · Journal of Computational Chemistry | Jul 2004 | 48,801 |
| 6 | Highly accurate protein structure prediction with AlphaFold John Jumper et al. · Nature | 15 Jul 2021 | 47,486 |
| 7 | Crystal structure refinement with SHELXL George M. Sheldrick · Acta Crystallographica Section C Structural Chemistry | 30 Dec 2014 | 43,688 |
| 8 | Helical microtubules of graphitic carbon Sumio Iijima · Nature | Nov 1991 | 43,125 |
| 9 | The Protein Data Bank Helen Miriam Berman · Nucleic Acids Research | 2000 | 40,564 |
| 10 | The rise of graphene Andre K. Geim, Kostya S. Novoselov · Nature Materials | Mar 2007 | 39,928 |
| 11 | AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry | 4 Jun 2009 | 38,730 |
| 12 | OLEX2 : a complete structure solution, refinement and analysis program Oleg V. Dolomanov, Luc J. Bourhis, Richard J. Gildea et al. · Journal of Applied Crystallography | 23 Jan 2009 | 32,557 |
| 13 | Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen Thom H. Dunning · The Journal of Chemical Physics | 15 Jan 1989 | 32,090 |
| 14 | Coot : model-building tools for molecular graphics Paul Emsley, Kevin D. Cowtan · Acta Crystallographica Section D Biological Crystallography | 26 Nov 2004 | 31,846 |
| 15 | Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy Florian Weigend, Reinhart Ahlrichs · Physical Chemistry Chemical Physics | 2005 | 31,196 |
| 16 | The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts | 12 Jul 2007 | 30,648 |
| 17 | Features and development of Coot Paul Emsley, Bernhard Lohkamp, William G. Scott et al. · Acta Crystallographica Section D Biological Crystallography | 23 Mar 2010 | 30,245 |
| 18 | SHELXT – Integrated space-group and crystal-structure determination George M. Sheldrick · Acta Crystallographica Section A Foundations and Advances | 23 Dec 2014 | 29,598 |
| 19 | A low-cost, high-efficiency solar cell based on dye-sensitized colloidal TiO2 films Brian C. O’Regan, Michaël Grätzel · Nature | Oct 1991 | 28,576 |
| 20 | VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data Koichi Momma, Fujio Izumi · Journal of Applied Crystallography | 28 Oct 2011 | 26,132 |
| 21 | Accurate and simple analytic representation of the electron-gas correlation energy John P. Perdew, Yue Wang · Physical review. B, Condensed matter | 15 Jun 1992 | 25,193 |
| 22 | THE USE OF LEAD CITRATE AT HIGH pH AS AN ELECTRON-OPAQUE STAIN IN ELECTRON MICROSCOPY Edward S. Reynolds · The Journal of Cell Biology | Apr 1963 | 25,107 |
| 23 | The electronic properties of graphene Antonio H. Castro Neto, Francisco Javier Esteban Guinea, Nuno M. R. Peres et al. · Reviews of Modern Physics | 14 Jan 2009 | 24,968 |
| 24 | PHENIX : a comprehensive Python-based system for macromolecular structure solution Paul D. Adams, Pavel V. Afonine, G. Bunkóczi et al. · Acta Crystallographica Section D Biological Crystallography | 21 Jan 2010 | 24,924 |
| 25 | Array programming with NumPy Charles R. Harris et al. · Nature | 16 Sep 2020 | 23,885 |
| 26 | A simple method for displaying the hydropathic character of a protein Jack Kyte, Russell F. Doolittle · Journal of Molecular Biology | May 1982 | 23,233 |
| 27 | Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Georg Kresse, J. Häfner · Physical review. B, Condensed matter | 15 May 1994 | 23,146 |
| 28 | Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells Akihiro Kojima, Kenjiro Teshima, Yasuo Shirai et al. · Journal of the American Chemical Society | 14 Apr 2009 | 23,141 |
| 29 | Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter | 15 Sep 1992 | 22,339 |
| 30 | Two-dimensional gas of massless Dirac fermions in graphene Kostya S. Novoselov, Andre K. Geim, С. В. Морозов et al. · Nature | Nov 2005 | 21,624 |
| 31 | Phaser crystallographic software Airlie J. McCoy, Ralf W. Grosse‐Kunstleve, Paul D. Adams et al. · Journal of Applied Crystallography | 13 Jul 2007 | 21,198 |
| 32 | Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene Changgu Lee, Xiaoding Wei, Jeffrey W. Kysar et al. · Science | 17 Jul 2008 | 20,935 |
| 33 | Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis S. H. Vosko, L. Wilk, Marwan Nusair · Canadian Journal of Physics | Aug 1980 | 20,860 |
| 34 | Polymorphic transitions in single crystals: A new molecular dynamics method Michele Parrinello, Ananda Fathur Rahman · Journal of Applied Physics | Dec 1981 | 20,747 |
| 35 | The Reliability of Molecular Weight Determinations by Dodecyl Sulfate-Polyacrylamide Gel Electrophoresis Karolin Weber, Mary Osborn · Journal of Biological Chemistry | Aug 1969 | 20,350 |
| 36 | Colloquium : Topological insulators M. Zahid Hasan, C. L. Kane · Reviews of Modern Physics | 8 Nov 2010 | 20,174 |
| 37 | Optical Constants of the Noble Metals P. B. Johnson, R. W. Christy · Physical review. B, Solid state | 15 Dec 1972 | 20,103 |
| 38 | ORTEP-3 for Windows - a version ofORTEP-III with a Graphical User Interface (GUI) Louis J. Farrugia · Journal of Applied Crystallography | Oct 1997 | 19,952 |
| 39 | Hybrid functionals based on a screened Coulomb potential Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof · The Journal of Chemical Physics | 25 Apr 2003 | 19,740 |
| 40 | WinGX suite for small-molecule single-crystal crystallography Louis J. Farrugia · Journal of Applied Crystallography | Aug 1999 | 18,916 |
| 41 | Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1 Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy et al. · Advanced Drug Delivery Reviews | Mar 2001 | 18,154 |
| 42 | Scalable molecular dynamics with NAMD James Christopher Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry | 12 Oct 2005 | 17,545 |
| 43 | XDS Wolfgang Kabsch · Acta Crystallographica Section D Biological Crystallography | 21 Jan 2010 | 17,173 |
| 44 | The Chemistry and Applications of Metal-Organic Frameworks Hiroyasu Furukawa, Kyle E. Cordova, Michael O'Keeffe et al. · Science | 29 Aug 2013 | 17,052 |
| 45 | ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT Bruce Ravel, Matthew G. Newville · Journal of Synchrotron Radiation | 15 Jun 2005 | 16,947 |
| 46 | Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool Alexander Stukowski · Modelling and Simulation in Materials Science and Engineering | 15 Dec 2009 | 16,794 |
| 47 | Elements of X-Ray Diffraction B. D. Cullity, John W. Weymouth · American Journal of Physics | Sep 1957 | 16,537 |
| 48 | Electronics and optoelectronics of two-dimensional transition metal dichalcogenides Qing Hua Wang, Kourosh Kalantar‐Zadeh, András Kis et al. · Nature Nanotechnology | Nov 2012 | 16,413 |
| 49 | Materials for electrochemical capacitors Patrice Simon, Yury G. Gogotsi · Nature Materials | 28 Oct 2008 | 16,410 |
| 50 | Ordered mesoporous molecular sieves synthesized by a liquid-crystal template mechanism Charles T. Kresge, Michael E. Leonowicz, Wiesław J. Roth et al. · Nature | Oct 1992 | 16,257 |
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 a field when OpenAlex files it under one of the field's topics; 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.