Nanomaterials, encompassing inorganic and organic semiconductors, insulators, and metals, are at the forefront of scientific exploration due to their exceptional electronic, mechanical, and thermodynamic properties. These materials underpin a vast array of applications, spanning from advanced light-emitting diodes and efficient photoenergy conversion to room-temperature magnetism and biomedical tools like optical probes and drug delivery systems.

At a fundamental level, nanomaterials play pivotal roles in both natural and engineered systems, necessitating a deep quantitative understanding of their properties. Unlike traditional materials, nanomaterials exhibit electronic structures that defy straightforward classification into conventional continuum (as in periodic systems) or discrete quantum levels (as in molecules). Moreover, fast and reliable characterization of nanomaterial surface, dynamics and chemical reactivity still present formidable challenges for experiment prompting computational studies at scale.

To address these complexities, this biannual workshop aims to unite theoreticians and experimentalists in a timely exploration of modern advancements, applications, and challenges in nanomaterial research. By integrating theoretical frameworks with cutting- edge experimental methodologies, augmented by machine learning and cheminformatics, we aspire to unravel the intricate structure-property relationships of nanomaterials. This interdisciplinary approach promises to inspire new collaborations, novel synthesis strategies and accelerate the development of nanomaterials tailored for specific functionalities.