Design principles for zero-strain Li-ion cathodes

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 80.7K citations

Optical Materials, Engineering, Acoustic Metamaterial +18

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 72.1K citations

Semiconductors, Engineering, Physics +9

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides

R. D. Shannon · Acta Crystallographica Section A · 1976 · 63.5K citations

Engineering, Computational Chemistry, Chemistry +16

Phospho‐olivines as Positive‐Electrode Materials for Rechargeable Lithium Batteries

A. K. Padhi, K.S. Nanjundaswamy, John B. Goodenough · Journal of The Electrochemical Society · 1997 · 7.7K citations

Electrochemical Extraction, Engineering, Ordered Olivine +18

Understanding the Metropolis-Hastings Algorithm

Siddhartha Chib, Edward Greenberg · The American Statistician · 1995 · 3.7K citations

Engineering, Monte Carlo, Monte Carlo Method +11