1. Next-generation Materials Genome

The basic molecular building blocks (e.g. metal atoms, organic linkers) can be combined in many different ways to form crystalline structures with different chemistry and topology.  The Materials Genome project seeks to enumerate a large database of porous materials and map their functionalities to different sets of applications that can be used in the future. 

2. Artificial Intelligence and Machine Learning Design of Materials

In the next decade or so, advancements in artificial intelligence (AI) research are predicted to impact every aspects of our daily lives.  Moreover, it is conceivable that the way we conduct research will change with help of AI.  In our research lab, we seek ways in which AI and deep learning can help us develop new materials, leading to better adsorbents, catalysts, and batteries for the future.       

3.  Carbon Capture and Sequestration

Carbon capture and sequestration (CCS) is a process in which carbon dioxide is captured before their emission into the atmosphere and buried in a safe underground reservoir.  Because carbon dioxide is a greenhouse gas thaexacerbates global warming, it is important to reduce the amount of carbon dioxide in the atmosphere.  In our research group, we search for optimal materials that can selectively capture carbon dioxide gas molecules from point contact sources such as the power plant flue gas.  Because the number of potential candidates are too large (over billion), computational tools and techniques are necessary to quickly and to accurately screen/characterize a large database of materials. 

4. Gas Storage 

The need for alternative fuel source is greater than ever with decreasing amount of oil.  To this end, we look into novel porous materials that have large internal surface area that allows significantly large amount of methane/hydrogen storage.  Because these porous materials are highly tunable, we look into various strategies to design these materials in silico (inside a computer) that can optimize the gas uptake of methane/hydrogen.