Tuning the catalytic activity of Ag(110)-supported Fe phthalocyanine in the oxygen reduction reaction

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

Numerical Analysis, Engineering, Machine Learning +19

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

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28K citations · Full text

Engineering, Material Simulation, Computational Chemistry +19

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.6K citations

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<scp>WSXM</scp>: A software for scanning probe microscopy and a tool for nanotechnology

Ignacio Horcas, Robert Fernandez, José M. Gómez‐Rodríguez et al. · Review of Scientific Instruments · 2007 · 7.6K citations · Full text

Engineering, Microscopy, Biomedical Engineering +16

Theory and Application for the Scanning Tunneling Microscope

J. Tersoff, D. R. Hamann · Physical Review Letters · 1983 · 2.5K citations · Full text

Engineering, Tunneling Microscopy, Physics +13