First call for participation in MOFSIM2019


It is our great pleasure and honor to invite you to participate in the MOFSIM2019 workshop, which will take place in Ghent, Belgium from Wednesday April 10 to Friday April 12, 2019. The call for participation has been opened until January 31, 2019. More information about the application procedure and the online application form can be found at , where you can also submit an application for a poster contribution. The MOFSIM2019 workshop aims to address the current state of the art, limitations, and perspectives on the computational tools applied to metal-organic frameworks with a special emphasis on four main topics:

1. Catalysis and adsorption in MOFs 2. Electronic properties and derived functions of MOFs 3. Mechanical, thermal, and chemical stability of MOFs 4. Frontiers of MOF simulations towards longer length and time scales

The goal of the workshop is to provide a forum between computational modelers and experimentalists that allows for scientific discussions addressing the most important issues regarding these four topics. To ensure that these discussions can be conducted in an organized and productive fashion, the number of participant will be limited. We are expecting the attendance of about 100 researchers, including both Ph.D. students, postdoctoral, and senior researchers, as well as renowned experimentalists in the MOF field.

In the last two decades, MOFs have evolved towards one of the most intriguing materials of current science. A close synergy between computational modeling, which is typically situated at the crossroad of molecular and solid state techniques, and experimental work has proven indispensable to understand the peculiar features of MOFs. However, modeling these materials remains challenging due to their inherent hybrid nature, being composed of inorganic and organic fragments. Furthermore, MOFs may possess intrinsic defects and structural disorder, which may be exploited for beneficial purposes, but which may also compromise the stability of the materials. Simulating these effects requires techniques that may extend to larger length scales than typically encountered in today’s simulation approaches. This conference will address the current state of the art and a prospective view on the future of MOF modeling. Each of the four topics will be introduced by a plenary speaker to set the scene, after which various invited lectures will be included to address current challenges and limitations of simulations on MOFs. In total 18 renowned speakers have accepted to contribute to the two-day workshop. The program is specifically designed with room for various discussion slots on each of the topics and a poster session to stimulate interactions between all participants. The conference will close by giving an outlook on the challenges and perspectives in simulating various functions and properties of MOFs. For more information regarding the programme and venue, please visit our website at  For more information you can contact us at

We look forward to your participation in the MOFSIM workshop.