4 citations · 4 across the 4 of their papers we have counts for
Showing physics.chem-phShow all
2 papers · 1 filter
physics.chem-ph2022
Charge Transfer Simulations using Hamiltonian Elements and Forces from Neural Networks
Philipp M. Dohmen, Mila Krämer, Patrick Reiser +3
The trajectory surface hopping method has been widely used in the simulation of charge transport in organic semiconductors. In the present study, we employ the machine learning (ML…
physics.chem-ph2019★ 4 cited
From absorption spectra to charge transfer in PEDOT nanoaggregates with machine learning
Loïc M. Roch, Semion K. Saikin, Florian Häse +4
Fast and inexpensive characterization of materials properties is a key element to discover novel functional materials. In this work, we suggest an approach employing three classes…