Synopsis: With rapid developments in novel experimental techniques, limits in the resolution, size and complexity of the biological systems that can be investigated have been constantly pushed forward. The availability of new experimental data poses exciting challenges to the theoretical community for developing novel theoretical and computational techniques that can be used to better interpret experimental results and glean further mechanistic or functional insights. In particular, it has become increasingly clear that computational models that span multiple length scales and resolutions are needed in many studies. How to construct these multi-scale computational models such that important mechanistic questions in biology can be addressed in a meaningful and effective manner is arguably the most exciting and challenging issue in the frontier of computational biophysics. In this workshop series, we bring together young theoretical/computational chemists/biophysicists to discuss both method/model developments and the important mechanistic issues that drive these theoretical/computational developments. Leading experimentalists in the relevant areas are also invited to bring in perspectives from “the real world”.