Machine Learning in Catalytic Engineering
Machine Learning in Catalytic Engineering
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Machine Learning in Catalytic Engineering

Machine Learning in Catalytic Engineering

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2021-04-16 - Zachary Ulissi, Larry Zitnick - The Open Catalyst 2020 Dataset & Community Challenges

2021-04-16 - Zachary Ulissi, Larry Zitnick - The Open Catalyst 2020 Dataset & Community Challenges

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2020-03-06 - Zachar Ulissi - Intersections of AI/ML and Chemistry in Catalyst Design and Discovery

2020-03-06 - Zachar Ulissi - Intersections of AI/ML and Chemistry in Catalyst Design and Discovery

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Anatoly Frenkel: Decoding Reactive Structures in Catalysts by Machine Learning Analysis of Spectra

Anatoly Frenkel: Decoding Reactive Structures in Catalysts by Machine Learning Analysis of Spectra

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Machine Learning Techniques in Heterogeneous Catalysis

Machine Learning Techniques in Heterogeneous Catalysis

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Continued Progress Towards Generalizable Machine Learning Models in Computational Catalysis

Continued Progress Towards Generalizable Machine Learning Models in Computational Catalysis

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Accelerating open shell transition metal catalyst discovery with machine learning

Accelerating open shell transition metal catalyst discovery with machine learning

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Data Science & Machine Learning Approaches to Catalysis - Fall 2023 AICHE meeting keynoteBroadcast

Data Science & Machine Learning Approaches to Catalysis - Fall 2023 AICHE meeting keynoteBroadcast

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Mie Andersen: Data-efficient & physics-inspired machine-learning models for catalysis modelling

Mie Andersen: Data-efficient & physics-inspired machine-learning models for catalysis modelling

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NeurIPS 2021: Open Catalyst Challenge | 2nd place — Innopolis AI

NeurIPS 2021: Open Catalyst Challenge | 2nd place — Innopolis AI

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Poster Session: Constructing descriptors in Catalysis with Iterative Bayesian Additive ...

Poster Session: Constructing descriptors in Catalysis with Iterative Bayesian Additive ...

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Poster: Identifying Physical Descriptors for Metal-Support Interaction in Catalysis with Stat...

Poster: Identifying Physical Descriptors for Metal-Support Interaction in Catalysis with Stat...

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Dr. Tobias Gensch: Data driven discovery in catalysis: Towards artificial chemical intelligence

Dr. Tobias Gensch: Data driven discovery in catalysis: Towards artificial chemical intelligence

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Open Catalyst Project Tutorial: An Introduction to Machine Learning for Material Discovery

Open Catalyst Project Tutorial: An Introduction to Machine Learning for Material Discovery

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MRes Industrial Heterogeneous Catalysis // University of Glasgow

MRes Industrial Heterogeneous Catalysis // University of Glasgow

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Leveraging machine learning to accelerate simulations of dilute alloy catalysts with adsorbates

Leveraging machine learning to accelerate simulations of dilute alloy catalysts with adsorbates

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catalytic reactor live demonstration

catalytic reactor live demonstration

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ChemReasoner: AI-Powered Catalyst Discovery

ChemReasoner: AI-Powered Catalyst Discovery

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Heather Kulik: "Molecular design blueprints: materials and catalysts from new simulation and mac..."

Heather Kulik: "Molecular design blueprints: materials and catalysts from new simulation and mac..."

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Active Learning for Materials Design with Kevin Tran - TWiML Talk #238

Active Learning for Materials Design with Kevin Tran - TWiML Talk #238

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