Prof. Jihan Kim
Associate Professor at KAIST
(Korea Advanced Institute of Science and Technology)
Department of Chemical and Biomolecular Engineering.
In the past decade, there has been an explosion in the number of newly synthesized metal-organic frameworks (MOFs), with the total number surpassing 20,000 structures. However, most of these MOFs are neglected after the development of another MOF material that surpasses their performance in a given application field. As such, it is interesting to contemplate upon whether or not the field as a whole need such a large number of materials. In this talk I will show that from a computational researcher's point of view, the current number is actually insufficient. I will talk about ways in which we manipulate MOFs in silico, such that they possess completely different properties than what was intended for the original structures, thus opening up new ways to recycle these old MOFs using computational simulations.