Inverse simulated annealing for the determination of amorphous structures

Los JH, Kuehne TD (2013)

Publication Type: Journal article

Publication year: 2013

Journal

Physical Review B - Condensed Matter and Materials Physics American Physical Society (APS)

Book Volume: 87

Article Number: 214202

Journal Issue: 21

DOI: 10.1103/PhysRevB.87.214202

Abstract

We present an efficient optimization method to determine the structure of disordered systems in agreement with available experimental data. Our approach permits the application of accurate electronic structure calculations within the structure optimization. This technique is demonstrated within density functional theory by the calculation of a model of amorphous carbon. © 2013 American Physical Society.

Involved external institutions

Johannes Gutenberg-Universität Mainz (JGU) DE Germany (DE)

How to cite

APA:

Los, J.H., & Kuehne, T.D. (2013). Inverse simulated annealing for the determination of amorphous structures. Physical Review B - Condensed Matter and Materials Physics, 87(21). https://dx.doi.org/10.1103/PhysRevB.87.214202

MLA:

Los, Jan H., and Thomas D. Kuehne. "Inverse simulated annealing for the determination of amorphous structures." Physical Review B - Condensed Matter and Materials Physics 87.21 (2013).

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