Accurate Neural Network Description of Surface Phonons in Reactive Gas–Surface Dynamics: N(2) + Ru(0001)

Por Shakouri, Khosrow, Behler, Jörg, Meyer, Jörg, Kroes, Geert-Jan
Publicado no J Phys Chem Lett (2017)

Analysis of Energy Dissipation Channels in a Benchmark System of Activated Dissociation: N(2) on Ru(0001)

Por Shakouri, Khosrow, Behler, Jörg, Meyer, Jörg, Kroes, Geert-Jan
Publicado no J Phys Chem C Nanomater Interfaces (2018)

Accurate Probabilities for Highly Activated Reaction of Polyatomic Molecules on Surfaces Using a High-Dimensional Neural Network Potential: CHD(3) + Cu(111)

Por Gerrits, N., Shakouri, Khosrow, Behler, Jörg, Kroes, Geert-Jan
Publicado no J Phys Chem Lett (2019)

Orbital-Dependent Electronic Friction Significantly Affects the Description of Reactive Scattering of N(2) from Ru(0001)

Por Spiering, Paul, Shakouri, Khosrow, Behler, Jörg, Kroes, Geert-Jan, Meyer, Jörg
Publicado no J Phys Chem Lett (2019)