Sara Angelico - NTNU

About

I am a PhD student working in the Quantum Chemistry group. My supervisor is prof. Henrik Koch. My PhD project focuses on the development of methods to study nonadiabatic dynamics in polaritonic chemistry.

I graduated in 2022 at the University of Pisa with a master's thesis on the different approaches to the Born-Oppenheimer approximation in polaritonic chemistry.

In 2021, I spent three months at NTNU as an Erasmus+ Intern working on my master's thesis.

I got my bachelor's degree in 2020 at the University of Pisa with a thesis on the combination of Frozen Density Embedding and the Fluctuating Charges models.

During my university years, I was also a student at Scuola Normale Superiore, from which I graduated in 2022.

Publications

2024

Kjønstad, Eirik Fadum; Angelico, Sara; Koch, Henrik. (2024) Coupled Cluster Theory for Nonadiabatic Dynamics: Nuclear Gradients and Nonadiabatic Couplings in Similarity Constrained Coupled Cluster Theory. Journal of Chemical Theory and Computation
Academic article
Lexander, Marcus Takvam; Angelico, Sara; Kjønstad, Eirik Fadum; Koch, Henrik. (2024) Analytical Evaluation of Ground State Gradients in Quantum Electrodynamics Coupled Cluster Theory. Journal of Chemical Theory and Computation
Academic article
Kjønstad, Eirik Fadum; Fajen, O. Jonathan; Paul, Alexander Christian; Angelico, Sara; Mayer, Dennis; Gühr, Markus. (2024) Photoinduced hydrogen dissociation in thymine predicted by coupled cluster theory. Nature Communications
Academic article

2023

Angelico, Sara; Haugland, Tor S.; Ronca, Enrico; Koch, Henrik. (2023) Coupled cluster cavity Born-Oppenheimer approximation for electronic strong coupling. Journal of Chemical Physics
Academic article

Journal publications

Kjønstad, Eirik Fadum; Angelico, Sara; Koch, Henrik. (2024) Coupled Cluster Theory for Nonadiabatic Dynamics: Nuclear Gradients and Nonadiabatic Couplings in Similarity Constrained Coupled Cluster Theory. Journal of Chemical Theory and Computation
Academic article
Lexander, Marcus Takvam; Angelico, Sara; Kjønstad, Eirik Fadum; Koch, Henrik. (2024) Analytical Evaluation of Ground State Gradients in Quantum Electrodynamics Coupled Cluster Theory. Journal of Chemical Theory and Computation
Academic article
Kjønstad, Eirik Fadum; Fajen, O. Jonathan; Paul, Alexander Christian; Angelico, Sara; Mayer, Dennis; Gühr, Markus. (2024) Photoinduced hydrogen dissociation in thymine predicted by coupled cluster theory. Nature Communications
Academic article
Angelico, Sara; Haugland, Tor S.; Ronca, Enrico; Koch, Henrik. (2023) Coupled cluster cavity Born-Oppenheimer approximation for electronic strong coupling. Journal of Chemical Physics
Academic article