Maristella Alessio

9PUBLICATIONS
27CO-AUTHORS
Photovoltaic power systemsTheoretical quantum chemistryCondensed matter modelling and density functional theoryNonlinear optics and spectroscopyEnergy generation, conversion and storage (excl. chemical and electrical)
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Publications (9)

|Aug 15, 2026
Dicationic Ion-Pair Doping Enables Stable and High-Performing Conducting Polymers for Organic Thermoelectrics.

|Nov 14, 2025
Benchmarking the GW Approximation against Coupled-Cluster Theory for 3d Transition Metals.

Laura Galleni, Stef Eversdijk, Daniel Escudero

|Jul 08, 2025
Quantum-embedded equation-of-motion coupled-cluster approach to single-atom magnets on surfaces.

Maristella Alessio, Tobias Schäfer, Thomas-C Jagau

|Jun 05, 2024
Coupled-cluster treatment of complex open-shell systems: the case of single-molecule magnets.

Maristella Alessio, Garrette Pauley Paran, Cansu Utku

|Feb 07, 2024
Signatures of s-wave scattering in bound electronic states.

Robin E Moorby, Valentina Parravicini, Maristella Alessio

|Mar 06, 2023
Influence of Transition Metal Electron Configuration on the Structure of Metal-EDTA Complexes.

Madison M Foreman, Maristella Alessio, Anna I Krylov

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Frequent Collaborators

4 joint publications

Thomas-C Jagau

3 joint publications

Anna I Krylov

2 joint publications

Daniel Escudero

1 joint publications

Florian R Rehak