2024 AIChE Annual Meeting

Session: Data Science and ML Approaches to Catalysis III: Electrochemical, Plasma-Enhanced, and Other Catalytic Systems

Chair

Co-Chair

Montemore, M., Tulane University

Presentations

03:30 PM

(389a) Understanding the Structure of the Electric Double Layer Using Machine-Learning Interatomic Potential Simulations

03:48 PM

(389b) Neural Networks Provide in-Depth Insights into Cation and Coverage Effects at (electro)Catalytic Interfaces

04:06 PM

(389c) Extending Wherewulff with Electric Field Effects

04:24 PM

(389d) Electrocatalytic Biomass Valorization: Efficient Strategies for Understanding Surface Coverage Effects

04:42 PM

(389e) Machine Learning of NO3- Reduction Reaction Steps Via Neat Surface D-Band Properties

05:00 PM

(389f) Advancing Non-Thermal Plasma Catalytic Material Design through Multiscale Simulation and Interpretable Machine Learning Integration

05:18 PM

(389g) Hierarchical Screening Aided By Machine Learning and Genetic Algorithm to Optimize Catalysts for Plasma-Assisted NH3 Synthesis

05:36 PM

(389h) Data Science Shows That Entropy Accelerates Zeolite Crystallization