Advancing reverse Monte Carlo structure refinements to the nanoscale

Over the past decade, the RMCProfile software package has evolved into a powerful computational framework for atomistic structural refinements using a reverse Monte Carlo (RMC) algorithm and multiple types of experimental data. However, realizing the full potential of this method, which can provide...

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Veröffentlicht in:	Journal of applied crystallography 2017-12, Vol.50 (6), p.1561-1570
Hauptverfasser:	Eremenko, M., Krayzman, V., Gagin, A., Levin, I.
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic structure Computer applications Computer programs Computer simulation Distribution functions Fourier transforms local structure Optimization reverse Monte Carlo Scattering Software
Online-Zugang:	Volltext
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