The eruption of carbon chains in the oxidation of 2D Tin+1Cn (n = 1, 2, 3) MXenes

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

Natural Sciences, Chemistry, Physics +16

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

Natural Sciences, Chemistry, Computational Chemistry +15

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

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Two‐Dimensional Nanocrystals Produced by Exfoliation of Ti₃AlC₂

Michael Naguib, Murat Kurtoglu, Volker Presser et al. · Advanced Materials · 2011 · 11.5K citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Iterative minimization techniques for<i>ab initio</i>total-energy calculations: molecular dynamics and conjugate gradients

M. C. Payne, M. P. Teter, D. C. Allan et al. · Reviews of Modern Physics · 1992 · 9.6K citations

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