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Leer entre las moléculas: conocimientos computacionales sobre semiconductores orgánicos

Ganna Gryn'ova1, Kun-Han Lin1,2, Clémence Corminboeuf1,2

  • 1Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering , École Polytechnique Fédérale de Lausanne (EPFL) , 1015 Lausanne , Switzerland.

Journal of the American Chemical Society
|November 6, 2018
PubMed
Resumen

Esta perspectiva explora estrategias computacionales para el avance de los semiconductores orgánicos moleculares. Abarca la química cuántica, el modelado atómico, la predicción de la morfología y el análisis basado en datos para mejorar las propiedades electrónicas.

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