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Umberto Raucci

24PUBLICATIONS

82CO-AUTHORS

Metal cluster chemistryColloid and surface chemistryTheoretical quantum chemistryPhotonics, optoelectronics and optical communicationsMetal organic frameworks

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Publications (24)

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|Jan 05, 2026

Theory meets experiment in ammonia decomposition on Li14Cr2N8O: From order to disorder under reaction conditions.

Francesco Mambretti, Umberto Raucci, Oscar Gómez-Cápiro

|Nov 27, 2025

Electrochemical potential-driven water dynamics control CO<sub>2</sub> electroreduction at the Ag/H<sub>2</sub>O interface.

Xiongwei Tian, Axel Tosello Gardini, Umberto Raucci

|Jul 15, 2025

Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics.

Léon L E Cigrang, Basile F E Curchod, Rebecca A Ingle

|May 09, 2025

Capturing Excited State Proton Transfer Dynamics with Reactive Machine Learning Potentials.

Umberto Raucci

|Mar 13, 2025

Machine learning-driven molecular dynamics unveils a bulk phase transformation driving ammonia synthesis on barium hydride.

Axel Tosello Gardini, Umberto Raucci, Michele Parrinello

|Jan 14, 2025

Molecular dynamics-guided reaction discovery reveals endoperoxide-to-alkoxy radical isomerization as key branching point in α-pinene ozonolysis.

Huan Yang, Umberto Raucci, Siddharth Iyer

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Frequent Collaborators

6 joint publications

Todd J Martínez

6 joint publications

Nadia Rega

5 joint publications

Michele Parrinello

4 joint publications

Maria Gabriella Chiariello

4 joint publications

David M Sanchez

3 joint publications

Dhiman Ray

2 joint publications

Alessio Petrone

2 joint publications

Carlo Adamo

2 joint publications

Ilaria Ciofini

2 joint publications

Hayley Weir

Frequent Collaborators

6 joint publications

Todd J Martínez

6 joint publications

Nadia Rega

5 joint publications

Michele Parrinello

4 joint publications

Maria Gabriella Chiariello

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