Dr. Canepa's research highlighted in PRL

Dr. Canepa's recent work on metal organic framework (MOF) materials is featured in the Physical Review Letters (PRL). Dr. Canepa focuses on first-principles electronic-structure simulations to model MOF materials and investigate their fundamental physical properties for the purpose of hydrogen storage and gas separation. In particular, in his recent article in PRL, Dr. Canepa has been investigating the diffusion of small molecules in the material MOF-74, successfully uncovering crucial transport processes at the atomistic level that govern the transport processes at the experimentally measured macroscopic level. His results are of tremendous importance for practical applications such as hydrogen storage and carbon capture in MOFs.

Dr. Canepa is a postdoctoral research associate in the Materials Simulation Group of Prof. Thonhauser. His project is part of a larger effort funded by the US Department of Energy, bringing together theorists from WFU (Prof. Timo Thonhauser and Dr. Canepa) and experimentalists from UT Dallas (Prof. Yves Chabal) and Rutgers (Dr. Jing Li).

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