PULSEE: A software for the quantum simulation of an extensive set of nuclear magnetic and quadrupole resonance observables

Abstract

We present an open-source software for the simulation of observables in nuclear magnetic/quadrupole resonance experiments (NMR/NQR) on solidstate samples, developed to assist experimental research in the design of new strategies for the investigation of quantum materials inspired by the early NMR/NQR quantum computation protocols. The software is based on a quantum mechanical description of nuclear spin dynamics in NMR/NQR experiments and has been widely tested on both theoretical and experimental available results. Moreover, the structure of the software allows an easy generalization of basic experiments to more sophisticated ones, as it includes all the libraries required for the numerical simulation of generic spin systems. In order to make the program easily accessible to a large user base, we developed a user-friendly graphical interface and fully-detailed documentation. Lastly, we portray several examples of the execution of the code that demonstrate the potential of NMR/NQR for the scopes of quantum control and quantum information processing.