MAM-STM: A software for autonomous control of single moieties towards specific surface positions

Abstract

In this publication we introduce MAM-STM, a software to autonomously manipulate arbitrary moieties towards specific positions on a metal surface utilizing the tip of a scanning tunneling microscope (STM). Finding the optimal manipulation parameters for a specific moiety is challenging and time consuming, even for human experts. MAM-STM combines autonomous data acquisition with a sophisticated Q-learning implementation to determine the optimal bias voltage, the z-approach distance, and the tip position relative to the moiety. This then allows to arrange single molecules and atoms at will. In this work, we provide a tutorial based on a simulated response to offer a comprehensive explanation on how to use and customize MAM-STM. Additionally, we assess the performance of the machine learning algorithm by benchmarking it within a simulated stochastic environment.