Lanthanide molecular nanomagnets as probabilistic bits

TL;DR

This paper introduces a new way to model lanthanide molecular nanomagnets as probabilistic bits (p-bits), highlighting their potential for stochastic computing and providing tools for simulation and screening of suitable complexes.

Contribution

It presents a modeling framework for molecular spin p-bits, demonstrates simulation capabilities, and systematically screens lanthanide complexes for p-bit behavior.

Findings

Successful simulation of magnetic relaxation data and ac experiments.

Identification of promising lanthanide complexes for p-bit applications.

Insights into chemical design for optimizing p-bit performance.

Abstract

Over the decades, the spin dynamics of a large set of lanthanide complexes have been explored. Lanthanide-based molecular nanomagnets are bistable spin systems, generally conceptualized as classical bits, but many lanthanide complexes have also been presented as candidate quantum bits (qubits). Here we offer a third alternative and model them as probabilistic bits (p-bits), where their stochastic behavior constitutes a computational resource instead of a limitation. We present a modelling tool for molecular spin p-bits, we demonstrate its capability to simulate bulk magnetic relaxation data and ac experiments and to simulate a minimal p-bit network under realistic conditions. Finally, we go back to a recent systematic data gathering and screen the best lanthanide complexes for p-bit behavior, lay out the performance of the different lanthanide ions and chemical families and offer some chemical design considerations.