2 papers
cond-mat.mtrl-sci2026
Charge Transport Framework for Crystalline pi-Conjugated Materials
Nisarg Trivedi, Maximilian F. X. Dorfner, Michel Panhans +1
Quantitative charge-transport modelling in crystalline pi-conjugated polymers requires an electronic representation that captures extended conjugation and material-specific electro…
physics.chem-ph2025
Evaluating First-Principles Electron-Phonon Couplings: Consistency Across Methods and Implementations
Konrad Merkel, Maximilian F. X. Dorfner, Manuel Engel +2
Electron-phonon coupling (EPC) is fundamental for understanding the behavior of molecules and crystals, influencing phenomena such as charge transport, energy transfer, phase trans…