<i>mrfmsim</i> : A modular, extendable, and readable simulation package for magnetic resonance force microscopy experiments
Abstract
We present mrfmsim, an open-source Python package that facilitates the design, simulation, and analysis of magnetic resonance force microscopy (MRFM) experiments. MRFM is a scanning-probe technique that detects magnetic resonance from nanoscale ensembles of nuclear or electron spins with a force sensor. Because MRFM experiments are complex and operate at sensitivity limits, numerical simulation is essential for designing experiments and estimating per-spin sensitivity and imaging resolution from measured signals. In this paper, we highlight the challenges of developing MRFM simulations and show that software designed to simulate specific experiments only in a rapidly evolving experimental field can yield erroneous results. The mrfmsim package addresses these challenges by supporting post-definition customization without rewriting the internal model and by employing a plugin system for extending functionality. We show that the package’s modular, extendable, and readable architecture improves reproducibility and accelerates development.
Article Details
Journal Info
The Journal of Chemical Physics
American Institute of Physics
Authors (6)
Peter Sun
Corinne E. Isaac
Department of Chemistry and Chemical Biology, Cornell University , Ithaca, New York 14853,
Michael C. Boucher
Department of Chemistry and Chemical Biology, Cornell University , Ithaca, New York 14853,
Eric W. Moore
Department of Chemistry and Chemical Biology, Cornell University , Ithaca, New York 14853,
Zhen Wang
John A. Marohn
Department of Chemistry and Chemical Biology, Cornell University , Ithaca, New York 14853,