Sara Bonella

Centre de Biophysique Moléculaire — France

Physics and Astronomy · Physical Sciences

24h-index1.8kcitations91works2.82yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(45), Quantum, superfluid, helium dynamics(34), Advanced Chemical Physics Studies(32), Advanced Thermodynamics and Statistical Mechanics(12), Protein Structure and Dynamics(9)

Publications91 total

Mass-zero constrained molecular dynamics for electrostatic interactions
The Journal of Chemical Physics·2025Open Access
Electrically driven first-order phase transition of a 2D ionic crystal at the electrode/electrolyte interface
Proceedings of the National Academy of Sciences·2025Open Access
Electrically driven first-order phase transition of a 2D ionic crystal at the electrode/electrolyte interface
arXiv (Cornell University)·2025Open Access
scicode-widgets: Bringing Computational Experiments to the Classroom with Jupyter Widgets
arXiv (Cornell University)·2025Open Access
Anharmonic phonons via quantum thermal bath simulations
arXiv (Cornell University)·2025Open Access
Correcting systematic errors in the likelihood optimization of underdamped Langevin models of molecular dynamics trajectories
arXiv (Cornell University)·2025Open Access
Mass-Zero constrained molecular dynamics for electrostatic interactions
arXiv (Cornell University)·2025Open Access
A tale of two codes: CUDA vs OpenACC for mass-zero constrained dynamics
The International Journal of High Performance Computing Applications·2025Open Access
Giovanni Ciccotti: a Renaissance physicist
Molecular Physics·2025Open Access
Jupyter widgets and extensions for education and research in computational physics and chemistry
Computer Physics Communications·2024· 4 citedOpen Access
Author response for "Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange"
2024
Jupyter widgets and extensions for education and research in computational physics and chemistry
arXiv (Cornell University)·2024Open Access
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Digital Discovery·2024· 33 citedOpen Access
Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models
The Journal of Chemical Physics·2023· 2 citedOpen Access
Continuum mechanics from molecular dynamics via adiabatic time and length scale separation
Letters in Mathematical Physics·2023· 6 citedOpen Access
Mass-zero constrained dynamics for simulations based on orbital-free density functional theory
The Journal of Chemical Physics·2022· 3 citedOpen Access
OSSCAR, an open platform for collaborative development of computational tools for education in science
Computer Physics Communications·2022· 10 citedOpen Access
MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes
The Journal of Chemical Physics·2022· 59 citedOpen Access
Mass-Zero constrained dynamics for simulations based on orbital-free density functional theory
arXiv (Cornell University)·2022Open Access
MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes
2022· 4 citedOpen Access
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Frequent Co-authors

Giovanni Ciccotti(20), D. F. Coker(11), Alessandro Coretti(8), Michele Monteferrante(7), Simon Huppert(5), Thomas Plé(5), Laura Scalfi(4), Benjamin Rotenberg(4), Mathieu Salanne(4), Simone Meloni(4), Philippe Depondt(4), Fabio Finocchi(4), Lamberto Rondoni(4), A. Marin-Laflèche(3), Matthieu Haefelé(3), Alessandra Serva(3), Roxanne Berthin(3), Camille Bacon(3), Paul A. Madden(3), Carlo Pierleoni(3)