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UGM-Sources of Complexity in Atomic Scale Simulation of Brønsted Acidic Zeolites

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Join us for the live webinars on:

October 15, 2024 at 7:00 am PDT

The talk will highlight the importance of first principles calculations in understanding proton-exchanged zeolite catalysts, focusing on DFT, AIMD, and advanced methods like RPA and MLPT to improve reaction mechanism predictions and explore bio-sourced molecule transformations.

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