Application of machine learning interatomic potentials in heterogeneous catalysis
Gbolagade Olajide, Khagendra Baral, Sophia Ezendu, Ademola Soyemi, Tibor Szilvási
Topics & Concepts
ChemistryCatalysisHeterogeneous catalysisComputational chemistryChemical physicsNanotechnologyOrganic chemistryMaterials scienceMachine Learning in Materials ScienceComputational Drug Discovery MethodsCatalysis and Oxidation Reactions