Single-molecule experiments are becoming increasingly popular as the preferred method for probing complex molecular phenomena such as those inherent to living systems and heterogeneous materials. Uncovering the underlying molecular dynamics from experimental signals often presents a major challenge and is the subject of many ongoing experimental and theoretical efforts. The purpose of this workshop is to bring together contributors in the fields of single molecule optical spectroscopy, single-molecule nanopore transport, single molecule force probe spectroscopy, and single molecule theory to discuss recent advances in these fileds, with a particular focus on issues lying at the interface between simulations/theory and single-molecule experiments.