Marcella Iannuzzi

52PUBLICATIONS
130CO-AUTHORS
Theoretical quantum chemistryCircuits and systemsChemical and thermal processes in energy and combustionElectrochemical energy storage and conversionComputational chemistry
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Publications (52)

|Sep 01, 2026
Soret Band Splitting as an Optical Fingerprint of Qubit Architecture in Spin-Active Porphyrin Dimers.

|May 28, 2026
A Flexible and Generalized Constant-Potential Framework in i-PI.

|Apr 07, 2026
Li-Promotion in Rh-Based CO2 Hydrogenation Catalysts to Ethanol: Enabling Carbon-Carbon Bond Formation at the Interface.

Colin Hansen, Nicolas Tavernier, Max Wiedmaier

|Jan 20, 2026
Dynamics and Control of Dual Active Sites in Co-Substituted Ni Coordination Polymers for Enhanced Oxygen Evolution Catalysis.

Yonggui Zhao, Nanchen Dongfang, Rolf Erni

|Jan 15, 2026
The CP2K Program Package Made Simple.

Marcella Iannuzzi, Jan Wilhelm, Frederick Stein

|Dec 26, 2025
Electronic Coupling of Molecular Complexes to Au Electrodes Mediated via Host-Guest Interactions.

Isik Tuncay, Tzu-Chin Chang Chien, Florian Keller

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Frequent Collaborators

9 joint publications

Greta R Patzke

8 joint publications

Gabriele Tocci

8 joint publications

Jinggang Lan

7 joint publications

Yonggui Zhao