34 citations · 34 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2020★ 34 cited
The CECAM Electronic Structure Library and the modular software development paradigm
Micael J. T. Oliveira, Nick Papior, Yann Pouillon +34
First-principles electronic structure calculations are very widely used thanks to the many successful software packages available. Their traditional coding paradigm is monolithic,…
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…