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Boston Marriott Newton2025.2.10-12 (USA)

PFCC to deliver an online presentation at CRE 2025

We will be delivering an online presentation at Catalyst and Reaction Engineering 2025. Our team will introduce how Matlantis has been applied to virtual catalyst screening. Please see below for details.

Conference Information

Date: February 10 – 12, 2025

Location: Boston Marriott Newton

Presentation Information

Presentation date and time: Thursday, February 12, 2025 10:10 PM – 10:30 PM (EST)

Title: Accelerating Ammonia Synthesis Catalyst Discovery with Machine Learning: Insights from Matlantis

Abstract:
Heterogeneous catalyst screening is challenging due to DFT's high cost. Matlantis' Neural Network Potential (NNP) achieves DFT-level accuracy 10,000× faster across 96 elements. Combined with descriptor-based microkinetics, it accelerates screening 100,000×. A case study on ammonia synthesis identified new catalysts, reproducing experimental trends while maintaining high predictive accuracy.

Presenter

Rudy Coquet

Rudy Coquet is a senior manager at PFCC. He received his PhD in Chemistry from Cardiff University, where he focused on computational chemistry for catalyst design. Rudy also earned an MBA from HEC Paris, emphasizing strategy and management.