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6 results in Authors: Robert Lavroff

Ensemble representation of catalytic interfaces: soloists, orchestras, and everything in-between

Robert H. Lavroff, Harry W.T. Morgan, Zisheng Zhang, Patricia Poths, Anastassia N. Alexandrova

Version 1 posted 11 March 2022

210

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Theoretical and Computational Chemistry

Accurately Extending the Organic-Trained RexGen Graph Convolutional Neural Network to Inorganic Reaction Prediction

Robert Lavroff, Bobby Judd

Version 2 posted 24 August 2023

176

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Cu-supported ZnO in Conditions of CO2 Reduction to Methanol: Why 0.2 ML Coverage?

Robert Lavroff, Edison Cummings, Kaustubh Sawant, Zisheng Zhang, Philippe Sautet, Anastassia Alexandrova

Version 1 posted 23 October 2024

222

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Mechanism of Stoichiometrically Governed Titanium Oxide Brownian Tree Formation on Stepped Au(111)

Robert H. Lavroff, Jason Wang, Michael G. White, Philippe Sautet, Anastassia N. Alexandrova

Version 1 posted 04 April 2023

132

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Materials Chemistry

Why Yttrium Hexaboride Exhibits a Much Higher Superconducting Tc than Near-Identical Lanthanum Hexaboride

Robert Lavroff, Julen Munarriz, Claire Dickerson, Francisco Munoz, Anastassia Alexandrova

Version 2 posted 14 September 2023

262

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Theoretical and Computational Chemistry

GOCIA: grand canonical Global Optimizer for Clusters, Interfaces, and Adsorbates

Zisheng Zhang, Winston Gee, Robert H. Lavroff, Anastassia N. Alexandrova

Version 2 posted 09 October 2024

433

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