| 1 | Projector augmented-wave method | Physical Review B | 1994 | 86,891 |
| 2 | General atomic and molecular electronic structure system | Journal of Computational Chemistry | 1993 | 18,052 |
| 3 | Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18 | Journal of Chemical Physics | 1980 | 9,202 |
| 4 | The use of fast Fourier transform for the estimation of power spectra: A method based on time averaging over short, modified periodograms | IEEE Transactions on Audio and Electroacoustics | 1967 | 7,689 |
| 5 | Improved tetrahedron method for Brillouin-zone integrations | Physical Review B | 1994 | 6,743 |
| 6 | Quantum computation with quantum dots | Physical Review A | 1998 | 5,568 |
| 7 | Current-driven excitation of magnetic multilayers | Journal of Magnetism and Magnetic Materials | 1996 | 5,477 |
| 8 | Roothaan-Hartree-Fock atomic wavefunctions | Atomic Data and Nuclear Data Tables | 1974 | 4,996 |
| 9 | Organic Thin Film Transistors for Large Area Electronics | Advanced Materials | 2002 | 4,321 |
| 10 | Communication via one- and two-particle operators on Einstein-Podolsky-Rosen states | Physical Review Letters | 1992 | 4,121 |
| 11 | CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations | Journal of Chemical Physics | 2020 | 4,054 |
| 12 | Mixed-state entanglement and quantum error correction | Physical Review A | 1996 | 3,991 |
| 13 | Magnetic Domain-Wall Racetrack Memory | Science | 2008 | 3,801 |
| 14 | The work function of the elements and its periodicity | Journal of Applied Physics | 1977 | 3,780 |
| 15 | Modeling solid-state chemistry: Interatomic potentials for multicomponent systems | Physical Review B | 1989 | 3,582 |
| 16 | Synthesis and Characterization of Monodisperse Nanocrystals and Close-Packed Nanocrystal Assemblies | Annual Review of Materials Research | 2000 | 3,448 |
| 17 | Gaussian Basis Set for Molecular Wavefunctions Containing Third‐Row Atoms | Journal of Chemical Physics | 1970 | 3,170 |
| 18 | Storage of hydrogen in single-walled carbon nanotubes | Nature | 1997 | 3,053 |
| 19 | Boson localization and the superfluid-insulator transition | Physical Review B | 1989 | 2,990 |
| 20 | Monodisperse MFe2O4 (M = Fe, Co, Mn) Nanoparticles | Journal of the American Chemical Society | 2004 | 2,971 |
| 21 | Cobalt-catalysed growth of carbon nanotubes with single-atomic-layer walls | Nature | 1993 | 2,712 |
| 22 | The Design and Implementation of FFTW3 | Proceedings of the IEEE | 2005 | 2,708 |
| 23 | Giant tunnelling magnetoresistance at room temperature with MgO (100) tunnel barriers | Nature Materials | 2004 | 2,696 |
| 24 | Modeling by shortest data description | Automatica | 1978 | 2,659 |
| 25 | Electronics using hybrid-molecular and mono-molecular devices | Nature | 2000 | 2,609 |
| 26 | Ultrafast graphene photodetector | Nature Nanotechnology | 2009 | 2,576 |
| 27 | A relational model of data for large shared data banks | Communications of the ACM | 1970 | 2,439 |
| 28 | Concentrating partial entanglement by local operations | Physical Review A | 1996 | 2,407 |
| 29 | Purification of Noisy Entanglement and Faithful Teleportation via Noisy Channels | Physical Review Letters | 1996 | 2,322 |
| 30 | Optimized pseudopotentials | Physical Review B | 1990 | 2,303 |
| 31 | Size-Controlled Synthesis of Magnetite Nanoparticles | Journal of the American Chemical Society | 2002 | 2,298 |
| 32 | Exact Analysis of an Interacting Bose Gas. I. The General Solution and the Ground State | Physical Review | 1963 | 2,189 |
| 33 | Superconductivity in a layered perovskite without copper | Nature | 1994 | 2,177 |
| 34 | Coding In-depth Semistructured Interviews: Problems of Unitization and Intercoder Reliability and Agreement | Sociological Methods and Research | 2013 | 2,177 |
| 35 | Lithium−Air Battery: Promise and Challenges | Journal of Physical Chemistry Letters | 2010 | 2,163 |
| 36 | Positioning single atoms with a scanning tunnelling microscope | Nature | 1990 | 2,157 |
| 37 | AI4People—An Ethical Framework for a Good AI Society: Opportunities, Risks, Principles, and Recommendations | Minds and Machines | 2018 | 2,109 |
| 38 | Optimal decoding of linear codes for minimizing symbol error rate (Corresp.) | IEEE Transactions on Information Theory | 1974 | 2,083 |
| 39 | Tunnel field-effect transistors as energy-efficient electronic switches | Nature | 2011 | 2,082 |
| 40 | Single- and multi-wall carbon nanotube field-effect transistors | Applied Physics Letters | 1998 | 2,038 |
| 41 | Atomic Screening Constants from SCF Functions | Journal of Chemical Physics | 1963 | 2,033 |
| 42 | Quantum cryptography: Public key distribution and coin tossing | Theoretical Computer Science | 2014 | 2,033 |
| 43 | Quantum information and computation | Nature | 2000 | 2,010 |
| 44 | Carbon-based electronics | Nature Nanotechnology | 2007 | 2,001 |
| 45 | Quantum cryptography using any two nonorthogonal states | Physical Review Letters | 1992 | 1,972 |
| 46 | L-Moments: Analysis and Estimation of Distributions Using Linear Combinations of Order Statistics | Journal of the Royal Statistical Society Series B: Methodological | 1990 | 1,916 |
| 47 | Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew | Journal of Chemical Physics | 2004 | 1,886 |
| 48 | Frequency modulation detection using high‐Q cantilevers for enhanced force microscope sensitivity | Journal of Applied Physics | 1991 | 1,885 |
| 49 | Emerging challenges and materials for thermal management of electronics | Materials Today | 2014 | 1,869 |
| 50 | Structural diversity in binary nanoparticle superlattices | Nature | 2006 | 1,854 |