Sara Bonella

13PUBLICATIONS
116CO-AUTHORS
Computational chemistryNonlinear optics and spectroscopyNumerical solution of differential and integral equationsElemental semiconductorsProgramming languages
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Publications (13)

|Jul 14, 2026
Perspective on a challenge: Predicting the photochemistry of cyclobutanone.

|Jul 02, 2026
Anharmonic phonons via quantum thermal bath simulations.

|Dec 01, 2025
Mass-zero constrained molecular dynamics for electrostatic interactions.

Federica Troni, Davide Grassano, Jayashree Narayan

|Nov 12, 2025
Electrically driven first-order phase transition of a 2D ionic crystal at the electrode/electrolyte interface.

Federica Angiolari, Alessandro Coretti, Mathieu Salanne

|Aug 09, 2024
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange.

Matthew L Evans, Johan Bergsma, Andrius Merkys

|Oct 26, 2023
Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models.

David Daniel Girardier, Hadrien Vroylandt, Sara Bonella

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Frequent Collaborators

5 joint publications

Alessandro Coretti

3 joint publications

Mathieu Salanne

2 joint publications

T Baird

2 joint publications

R Vuilleumier