Wiley Interdisciplinary Reviews Computational Molecular Science· 2018Q1

Quantum‐mechanical condensed matter simulations with CRYSTAL

Roberto Dovesi, Alessandro Erba, Roberto Orlando, Claudio M. Zicovich‐Wilson et al.

1,759citations
Q1SCImago
2018year

Short summary

The latest release of the CRYSTAL program introduces significant advancements in quantum-mechanical simulations for solid-state materials, enabling accurate calculations across all dimensionalities (0D to 3D) with enhanced efficiency.

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Field: Condensed Matter Physics

Condensed Matter PhysicsPhysics and Astronomy