
Recent Posts
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CRF Recognizes Researchers for Outstanding Contributions

CRF Recognizes Researchers for Outstanding Contributions
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Plasma-assisted conversion of siloxanes

Siloxanes (organosilicon compounds with silicon–oxygen (Si–O–Si) structures) have a broad range of technology applications, and understanding their chemical transformations is important both for industrial uses and for managing their disposal. Emma Litzer and Nils Hansen, together with colleagues Tanvir I. Farouk, Prangan Nandy, Raziya S. Chowdhury and Shamia Hoque from the University of South Carolina,…
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Foundation Models Accelerate Gas-Phase Kinetics Calculations

Judit Zádor, together with CRF summer intern Daniel Kendall (UCLA), published a paper in “The Journal of Physical Chemistry A” on “Benchmarking the UMA Foundation Interatomic Potential for Gas-Phase Chemical Kinetics”. In this work, the authors use the automated KinBot workflow to benchmark Meta’s Universal Models for Atoms (UMA) foundation model for gas-phase kinetics applications across…
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Automated Development of a Comprehensive Microkinetic Model for Catalysis

Automated Development of a Comprehensive Microkinetic Model for Catalysis
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New Formation Mechanism for Surface Oxide Observed in Pt Catalysis

New Formation Mechanism for Surface Oxide Observed in Pt Catalysis
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Generative Design of Active Sites on Arbitrary Catalysts

Judit Zádor co-organized this year’s “Faraday Discussion on Bridging the gap from surface science to heterogeneous catalysis” that was held in London, United Kingdom, April 20th-22nd. At this meeting she and fellow CRF researcher Matthew Johnson presented their development, with collaborator Richard West from Northeastern University, of an interpretable machine-learning framework using Subgraph Isomorphic Decision Trees…
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Measurements via Double-resonance Ion Imaging Mass Spectrometry

CRF researchers Haw-Wei Lin, Eric Smoll, Jonathan Frank and Dave Chandler published a paper in Journal of Physics B entitled, “Absolute Cross Section Measurements via Double Resonance Ion-Imaging Mass Spectrometry: The mp51/2 n(p′/f′) Autoionizing Rydberg States of Argon.” Employing a novel in situ double-resonance scheme using an ion-imaging mass spectrometer that can accurately measure absolute…
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Hydrogen Peroxide Formation Mechanisms in Liquid Anode and Cathode Discharges

Hydrogen Peroxide Formation Mechanisms in Liquid Anode and Cathode Discharges
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Real-Time Monitoring of CO2 Reduction

Real-Time Monitoring of CO2 Reduction
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Neighboring Groups can turn Quantum Tunneling On and Off

Tim Zwier, Judit Zádor and Blair Welsh from the CRF, with colleagues Sven Herbers from the Université Paris Est and Edwin L Sibert III from University of Wisconsin Madison, published a paper on “Methyl Rotor State-Dependent Quenching of OH Tunneling in 2,6-Dimethylphenol” in “The Journal of Physical Chemistry Letters”. Tunneling is a purely quantum process…
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