Curriculum Vitae

Personal Data:

ORICD ID0000-0003-4131-2513

List of Selected Publications:

Etienne Mangaud; Simon Huppert; Thomas Plé; Philippe Depondt; Sara Bonella; Fabio Finocchi

The fluctuation-dissipation theorem as a diagnosis and cure for zero-point energy leakage in quantum thermal bath simulations (Journal Article)

In: Journal of chemical theory and computation, 2019.

(Links | BibTeX)

Alessandro Coretti; Sara Bonella; Giovanni Ciccotti

Communication: Constrained molecular dynamics for polarizable models (Journal Article)

In: The Journal of chemical physics, vol. 149, no. 19, pp. 191102, 2018.

(Links | BibTeX)

Julien Beutier; D Borgis; R Vuilleumier; Sara Bonella

Computing thermal Wigner densities with the phase integration method (Journal Article)

In: The Journal of chemical physics, vol. 141, no. 8, pp. 084102, 2014.

(Links | BibTeX)

F Mouhat; S Bonella; C Pierleoni

Charge transport simulations of NaCl in an external magnetic field: the quest for the Hall effect (Journal Article)

In: Molecular Physics, vol. 111, no. 22-23, pp. 3651–3661, 2013.

(Links | BibTeX)

Adolfo Poma; Michele Monteferrante; Sara Bonella; Giovanni Ciccotti

The quantum free energy barrier for hydrogen vacancy diffusion in Na 3 AlH 6 (Journal Article)

In: Physical Chemistry Chemical Physics, vol. 14, no. 44, pp. 15458–15463, 2012.

(Links | BibTeX)

Sara Bonella; Daniel Montemayor; David F Coker

Linearized path integral approach for calculating nonadiabatic time correlation functions (Journal Article)

In: Proceedings of the National Academy of Sciences, vol. 102, no. 19, pp. 6715–6719, 2005.

(Links | BibTeX)

S Bonella; DF Coker

LAND-map, a linearized approach to nonadiabatic dynamics using the mapping formalism (Journal Article)

In: The Journal of chemical physics, vol. 122, no. 19, pp. 194102, 2005.

(Links | BibTeX)


BACHELOR IN PHYSICS“La Sapienza” University of Rome2003
Ph.D. IN PHYSICSBoston University2004

Work Activities:

March 1999 – February 2004Ph.D. GrantBoston University
March 2004 – February 2005Research ContractBoston University
March 2005 – April 2006Research FellowScuola Normale Superiore di Pisa
May 2006 – April 2007CNISM Research Fellow“La Sapienza” University of Rome
June 2007 – August 2008 Research Fellow of the “Accademia dei Lincei”“La Sapienza” University of Rome
September 2008 – August 2014Assistant Professor“La Sapienza” University of Rome
October 2014 – presentDeputy Director of CECAMÉcole polytechnique fédérale de Lausanne (EPFL)
June 2017 – presentMaître d’enseignement et de rechercheÉcole polytechnique fédérale de Lausanne (EPFL)

Research Projects:

OSSCAR. Open Software Services for Classroom and ResearchEPFL Open Science fundPI: G. Pizzi;
CO-PI: S. Bonella
Models and Theory for Quantum Nuclear EffectsFoundation Germaine de Staël Mobility GrantsPI: S. Bonella2018-2019
E-CAM. An e-infrastructure for software, training and consultancy in simulations and modelingEU. H2020;
PI: I. Pagonabarraga;
S. Bonella leader of workpackage “Quantum Dynamics”
Advanced Computational Methods for Biophysics, Drug Design and Energy IIT-SEED Project PI: G. Ciccotti;
S. Bonella leader of Energy workpackage
Hydrogen as a sustainable energy carrierItalian Ministery of Environment Research GrantPI: R. Cantelli;
CO-PI (for computational activities): S. Bonella
Advanced simulation methods for hydrophobic phenomena in biology e nanosystems Awards project Ateneo “La Sapienza”PI: G. Ciccotti;
CO-PI: S. Bonella
Quantum dynamics for condensed matter systems“Accademia dei Lincei” Research FellowshipS. Bonella2007-2008
Simulating Hydrogen materials for solid state storageCNISM Research FellowshipS. Bonella2006-2007


Master ThesisA. Gebraisalasse (2011), M. Amabili (2013), S. Marchio (2015), L. Gagliardi (2015) (Best grade in his Erasmus Mundus Atosim (EMA) class), E. Boattini (2016), J. Przemysalw (2017), R. Aranda (2017) (Best grade in his EMA class), A. Coretti (2017). 
Master Thesis (ongoing)E. Savoia (2019-)
PhD ThesisL. Chen (2008, co-supervision), E. Milanetti (2016), J. Beutier (2016) 
PhD Thesis (ongoing)T. Plé (2017- co-tutele, UPMC Paris), A. Coretti (2017- co-tutele, Politecnico di Torino) 
PostDoctoral ResearchersM. Monteferrante (2006-2010), W. Babiaczyk (2009-2011), A. Poma (2010-2011), M. Micciarelli (2013-2014), S. Marchio (2015-2017), M. Mališ (2016-2018), E. Managaud (2017-2018)


Degree in Physics Introduction to Scientific Computing, 1st year (2010-2013); 
Quantum mechanics 3rd year (2010-2013)
Master in PhysicsComputational Statistical Mechanics, 1th year Master (2007-2014)
Master in ChemistryComputational Methods for Molecular Quantum Dynamics 1th year (2015-present)
Invited coursesHistory of Quantum Mechanics (2006, Middlebury College, USA);
Advanced Computational Methods for Activated Events (2013, ENS Paris);
Computational Methods for Quantum Dynamics (2017 Université Pierre et Marie Curie, Paris);
Introduction to Computational Statistical Mechanics (2017 OIST Institute, Okinawa);
Non-Equilibrium Molecular Dynamics (2019, ENS Paris);

Prizes, Awards, Fellowships:

Ph.D. fellowshipBoston University2000 – 2004
Sugata Ray Award for Best Ph.D. StudentBoston University2003
Research Fellowship Boston University2004
Research FellowshipScuola Normale Superiore Pisa2005 – 2006
Research Fellowship CNISM (Italian Consortium for Research in Condensed Matter)2006 – 2007
Research FellowshipAccademia dei Lincei2007 – 2008
Prize for Excellence in Teaching“La Sapienza” University of Rome2014