Welcome to the DP Lab (Digital Porous Materials Lab) @ University at Buffalo! We are a computational and theoretical research group. We leverage machine learning, quantum and molecular-level modeling, statistical mechanics, and mathematical modeling:
- To gain fundamental understanding at the interface of materials science and chemical physics.
- To develop cutting-edge porous materials solutions to major societal problems facing our planet.
We are also an affiliate member of the Acceleration Consortium, an initiative to accelerate the discovery of advanced materials and molecules with the power of AI, robotics, and advanced computing.
News
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The Shi group will attend and present at the AIChE meeting next week in Minneapolis! Check out our presentation schedule here.
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Our long-waited computational characterization software, Mofography, based on pore graphs is finally up online. Check out the pre-print, GitHub codebase, and a convenient web app!
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Dr. Shi’s CAREER award is highlighted by the UB SEAS!
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Congratulations to Areej for winning the Excellence in Computational Research Award at the 29th CBE Graduate Symposium! 🎉
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Dr. Shi’s collaborative work as a contributing author on building a physics-aware AI ecosystem for solid-state hydrogen storage materials is now published in ACS Energy Letters!
