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20142023
most citedSemi-Automated Creation of Density Functional Tight Binding Models Through Leveraging Chebyshev Polynomial-based Force Fields

31 citations · 83 across the 6 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…