Curriculum Vitae

@article{mangaud2019fluctuation,

title = {The fluctuation-dissipation theorem as a diagnosis and cure for zero-point energy leakage in quantum thermal bath simulations},

author = {Etienne Mangaud and Simon Huppert and Thomas Plé and Philippe Depondt and Sara Bonella and Fabio Finocchi},

doi = {10.1021/acs.jctc.8b01164},

year  = {2019},

date = {2019-01-01},

journal = {Journal of chemical theory and computation},

publisher = {ACS Publications},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{coretti2018communication,

title = {Communication: Constrained molecular dynamics for polarizable models},

author = {Alessandro Coretti and Sara Bonella and Giovanni Ciccotti},

doi = {10.1063/1.5055704},

year  = {2018},

date = {2018-01-01},

journal = {The Journal of chemical physics},

volume = {149},

number = {19},

pages = {191102},

publisher = {AIP Publishing},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{beutier2014computing,

title = {Computing thermal Wigner densities with the phase integration method},

author = {Julien Beutier and D Borgis and R Vuilleumier and Sara Bonella},

doi = {10.1063/1.4892597},

year  = {2014},

date = {2014-01-01},

journal = {The Journal of chemical physics},

volume = {141},

number = {8},

pages = {084102},

publisher = {AIP},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{mouhat2013charge,

title = {Charge transport simulations of NaCl in an external magnetic field: the quest for the Hall effect},

author = {F Mouhat and S Bonella and C Pierleoni},

doi = {10.1080/00268976.2013.846486},

year  = {2013},

date = {2013-01-01},

journal = {Molecular Physics},

volume = {111},

number = {22-23},

pages = {3651--3661},

publisher = {Taylor & Francis},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{poma2012quantum,

title = {The quantum free energy barrier for hydrogen vacancy diffusion in Na 3 AlH 6},

author = {Adolfo Poma and Michele Monteferrante and Sara Bonella and Giovanni Ciccotti},

doi = {10.1039/C2CP42536J},

year  = {2012},

date = {2012-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {14},

number = {44},

pages = {15458--15463},

publisher = {Royal Society of Chemistry},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{bonella2005linearized1,

title = {Linearized path integral approach for calculating nonadiabatic time correlation functions},

author = {Sara Bonella and Daniel Montemayor and David F Coker},

doi = {10.1073/pnas.0408326102},

year  = {2005},

date = {2005-01-01},

journal = {Proceedings of the National Academy of Sciences},

volume = {102},

number = {19},

pages = {6715--6719},

publisher = {National Acad Sciences},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{bonella2005land,

title = {LAND-map, a linearized approach to nonadiabatic dynamics using the mapping formalism},

author = {S Bonella and DF Coker},

doi = {10.1063/1.1896948},

year  = {2005},

date = {2005-01-01},

journal = {The Journal of chemical physics},

volume = {122},

number = {19},

pages = {194102},

publisher = {AIP},

keywords = {},

pubstate = {published},

tppubtype = {article}

}