⚛️ Physics Papers

Scholarly works matching "physics" in Crossref, sorted by the number of times other DOI-registered works cite them. Citation counts come from Crossref and are usually lower than Google Scholar figures.

536 top-cited papers indexed

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke (1993)

The Journal of Chemical Physics

100.0K citesjournal articlePDF

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony et al. (2010)

The Journal of Chemical Physics

59.1K citesjournal articlePDF

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steve Plimpton (1995)

Journal of Computational Physics

42.9K citesjournal articlePDF

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar et al. (1983)

The Journal of Chemical Physics

40.4K citesjournal articlePDF

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Thom H. Dunning (1989)

The Journal of Chemical Physics

30.8K citesjournal articlePDF

Equation of State Calculations by Fast Computing Machines

Nicholas Metropolis, Arianna W. Rosenbluth et al. (1953)

The Journal of Chemical Physics

31.0K citesjournal articlePDF

Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems

Tom Darden, Darrin York et al. (1993)

The Journal of Chemical Physics

30.5K citesjournal articlePDF

Molecular dynamics with coupling to an external bath

H. J. C. Berendsen, J. P. M. Postma et al. (1984)

The Journal of Chemical Physics

29.5K citesjournal articlePDF

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 (2005)

Physical Chemistry Chemical Physics

30.1K citesjournal articlePDF

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni et al. (2009)

Journal of Physics: Condensed Matter

23.6K citesjournal articlePDF

The electronic properties of graphene

A. H. Castro Neto, F. Guinea et al. (2009)

Reviews of Modern Physics

23.2K citesjournal articlePDF

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

S.F. Boys, F. Bernardi (1970)

Molecular Physics

21.6K citesjournal articlePDF

A smooth particle mesh Ewald method

Ulrich Essmann, Lalith Perera et al. (1995)

The Journal of Chemical Physics

22.0K citesjournal articlePDF

Geant4—a simulation toolkit

S. Agostinelli, J. Allison et al. (2003)

Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment

21.7K citesjournal articlePDF

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

Graeme Henkelman, Blas P. Uberuaga et al. (2000)

The Journal of Chemical Physics

21.2K citesjournal articlePDF