38 citations · 89 across the 3 of their papers we have counts for
3 papers
Data-driven Approach to Parameterize SCAN+U for an Accurate Description of 3d Transition Metal Oxide Thermochemistry
Nongnuch Artrith, José Antonio Garrido Torres, Alexander Urban +1
Semi-local DFT methods exhibit significant errors for the phase diagrams of transition-metal oxides that are caused by an incorrect description of molecular oxygen and the large se…
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…
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…