Written by leading experts in this field, this proceedings volume originates from a workshop held in Toulouse on March 1–2, 2023, organized by the ESIM European project (Energy Storage Inside Molecule(s)). The book explores the intersection and convergence of various perspectives, disciplines, and research areas related to a modern version of the Maxwell demon at the nanoscale. It presents interdisciplinary perspectives on topics such as intramolecular thermodynamics and single molecule motive power and overviews the realm of single objects, be it atoms or molecules, while also emphasizing on theoretical and experimental approaches, with or without the presence of supporting surfaces. Notably, this comprehensive collection represents the first instance where such intertwined contributions on diverse versions of the Maxwell demon are discussed within the context of the nanoscale. It is of great use to graduate students, postdoctoral fellows, and researchers who are interested in single molecule mechanics.