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20192026
most citedGreen's functions perspective on nonequilibrium thermodynamics of open quantum systems strongly coupled to baths

25 citations · 30 across the 4 of their papers we have counts for

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cond-mat.mtrl-sci2026

Local Response Theory of Electrified Interfaces from Screened Effective Charges

Nicolas G. Hörmann, Nicolas Bergmann, Karsten Reuter

First-principles, electronic-structure simulations provide direct access to ground-state, global system properties. In the context of computational electrochemistry these are, e.g.…

cond-mat.mtrl-sci2025★ 1 cited

Machine Learning the Energetics of Electrified Solid/Liquid Interfaces

Nicolas Bergmann, Nicéphore Bonnet, Nicola Marzari +2

We present a response-augmented machine learning (ML) approach to the energetics of electrified metal surfaces. We leverage local descriptors to learn the work function as the firs…