This meeting will bring together old and new friends to discuss the state of the art, methods and current challenges in computer simulations, as well as reflect on the past, present and future of the field. The meeting will enable scientists from different generations to meet in an atmosphere that combines excellence and open discussions and will pave the way for new scientific advances and collaborations. The conference is a special event on the occasion of Prof Michael Klein’s 80th birthday to highlight the vitality and future perspectives of the field, starting from his numerous important and remarkable contributions to chemistry, biophysics, materials science, and, in particular, computer simulation.