activity
20142026
most citedProjector augmented-wave and all-electron calculations across the periodic table: a comparison of structural and energetic properties

41 citations · 106 across the 11 of their papers we have counts for

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Showing 2016Show all

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cond-mat.mtrl-sci2016

Crystal Structure Prediction of Molecular Crystals from First Principles: Are we there yet?

Cong Huy Pham, Emine Kucukbenli, Stefano de Gironcoli

Accurate molecular crystal structure prediction is a fundamental goal in academic and industrial condensed matter research and polymorphism is arguably the biggest obstacle on the…