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5 results in Keywords: symbolic regression

Theoretical and Computational Chemistry

Identifying Physico-Chemical Laws from the Robotically Collected Data

Liwei Cao, Danilo Russo, Vassilios S. Vassiliadis, Alexei Lapkin

Version 1 posted 03 July 2019

762

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CO Oxidation Catalyzed by Perovskites: The Role of Crystallographic Distortions Highlighted by Systematic Experiments and AI

Giulia Bellini, Gregor Koch, Frank Girgsdies, Jinhu Dong, Spencer J. Carey, Olaf Timpe, Gudrun Auffermann, Matthias Scheffler, Robert Schlögl, Lucas Foppa, Annette Trunschke

Version 2 posted 17 September 2024

290

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Data-centric heterogeneous catalysis: identifying rules and materials genes of alkane selective oxidation

Lucas Foppa, Frederik Rüther, Michael Geske, Gregor Koch, Frank Girgsdies, Pierre Kube, Spencer Carey, Michael Hävecker, Olaf Timpe, Andrey Tarasov, Matthias Scheffler, Frank Rosowski, Robert Schlögl, Annette Trunschke

Version 1 posted 31 October 2022

409

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Physical Chemistry

Data to Physics in Minutes: An Agentic Large Language Model Solves a Competitive Adsorption Puzzle

Bingling Dai, Yuhang Song, Yibin Jiang, Cheng Wang

Version 1 posted 05 May 2025

94

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Modelling the Time-Dependent Reactivity of Catalysts by Experiments and Artificial Intelligence

Jonathan M. Mauß, Klara S. Kley, Rohini Khobragade, Nguyen-Khang Tran, Jacopo De Bellis, Ferdi Schüth, Matthias Scheffler, Lucas Foppa

Version 2 posted 02 April 2025

268

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