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
| Nov 20, 2024 | Welcome Julia Singh to our group! Julia is currently a sophomore in Chemical Engineering. 👋👋 |
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| Nov 19, 2024 | Prof. Shi’s co-authored paper on gRASPA, a GPU-accelerated Monte Carlo software that is designed for simulating gas adsorption in nanoporous materials, is now available online in Journal of Chemical Theory and Computation! The software is open-source and freely available on GitHub. Give it a try! 🤯 |
| Nov 1, 2024 | Prof. Shi has won the ACS PRF Doctoral New Investigator award! 🎉 This grant will support us to investigate molecular traffic in complex pore networks using molecular simulations and machine learning. 🔬 |
| Oct 25, 2024 | Prof. Shi is going to give an invited talk on advanced simulation and materials characterization for nanoporous materials at the AIChE Annual Meeting next week in San Diego. He will also co-chair the “Faculty Candidates in CoMSEF/Area1A” Session. See you in San Diego! ⛱️⛱️ |
| Oct 10, 2024 | Dr. Salman Bin Kashif just joined our group as a postdoctoral scholar. Salman completed his PhD in Chemical Engineering from Clemson University, under the guidance of Prof. Sapna Sarupria. Welcome Salman! 👋👋 |
| Oct 4, 2024 | Chao, Behnam, Asritha, Asha, and Ravi just presented their exciting research today at 27th Annual CBE Graduate Student Research Symposium. Great job guys! I am so proud of you!! 👏👏 |
| Jul 27, 2024 | Kaden will present his summer intern project at CLIMB UP Symposium on July 29. His oral presentation title is “Computational Investigation of Nicotinic Receptor Binding Pocket Activation”. Good luck, Kaden! 🌟🌟 |
| Jun 21, 2024 | Dr. Shi will deliver an invited online seminar on CO2 capture in National Energy Technology Laboratory (NETL) next week! 💬💬 |
| Jun 11, 2024 | Prof. Shi is going to deliver an invited talk at 33rd Annual MTSM Conference on June 13, hosted at the University of Michigan.💬 |
| Jun 11, 2024 | Prof. Shi’s co-authored paper (as the co-first author and the corresponding author) on rapid measurements of molecular transport using commercial volumetric adsorption instruments was published online in ACS Applied Materials & Interfaces! 👀👀 |
| May 28, 2024 | We have four talented undergraduate students joining our group this summer! Welcome aboard, Jeffrey Zhang, Jeffrey Cai, Will Cousins, and Kaden Lewis! 👋👋 |
| May 3, 2024 | Our proposal to NSF ACCESS has been approved!! Thank you NSF for providing GPU computing resources. 🖥️ |
| Mar 22, 2024 | Prof. Shi has won an award from the UB Research and Creative Activities for Undergraduates Program! 🥳 We are now hiring an undergraduate Research Assistant! See more information on the UB website. Join us if you are interested in getting paid to do cool research! 🤯 |
| Feb 28, 2024 | Shi Research Group had their first group lunch today! 🫕 |
| Jan 24, 2024 | Shi Research Group just had their first group meeting today! 🎉 |
| Dec 7, 2023 | Warm welcome Chao, Behnam, Asha, and Asritha to our group!! 🤗 |
| Nov 21, 2023 | Prof. Shi’s co-authored research paper on the supported copper oxide nanoclusters for methane activation was published online in EES Catalysis! 🤯 |
| Oct 17, 2023 | Prof. Shi’s co-authored review paper on molecular modeling of MOFs was published online today in Advanced Functional Materials! 👀👀 |
| Aug 21, 2023 | Prof. Shi officially started as an Assistant Professor in the Department of Chemical and Biological Engineering at UB! 🥳🥳 |
| Jun 14, 2023 | Prof. Shi’s co-first author paper on molecular transport in MOFs was just published online in JACS! ✨ |
| May 9, 2023 | Our group website is live! 🎉 |