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physics.comp-ph2021
Solving the time-independent Schrödinger equation for chains of coupled excitons and phonons using tensor trains
Patrick Gelß, Rupert Klein, Sebastian Matera +1
We demonstrate how to apply the tensor-train format to solve the time-independent Schrödinger equation for quasi one-dimensional excitonic chain systems with and without periodic b…
physics.comp-ph2016★ 21 cited
A practical approach to the sensitivity analysis for kinetic Monte Carlo simulation of heterogeneous catalysis
Max J. Hoffmann, Felix Engelmann, Sebastian Matera
Lattice kinetic Monte Carlo simulations have become a vital tool for predictive quality atomistic understanding of complex surface chemical reaction kinetics over a wide range of r…