38 citations · 89 across the 3 of their papers we have counts for
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physics.chem-ph2019★ 30 cited
An Atomistic Machine Learning Package for Surface Science and Catalysis
Martin Hangaard Hansen, José A. Garrido Torres, Paul C. Jennings +4
We present work flows and a software module for machine learning model building in surface science and heterogeneous catalysis. This includes fingerprinting atomic structures from…
physics.chem-ph2017★ 38 cited
Adsorption energies of benzene on close packed transition metal surfaces using the random phase approximation
J. A. Garrido Torres, B. Ramberger, H. Früchtl +2
The adsorption energy of benzene on various metal substrates is predicted using the random phase approximation (RPA) for the correlation energy. Agreement with available experiment…