Sara Bonella (S Bonella)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 10

Top Topics

Molecular Dynamics

Top Venues

The Journal of chemical physics

Digital discovery

The journal of physical chemistry letters

Entropy (Basel, Switzerland)

This page only lists publications with an associated author ORCID identifier.

Publications

Matthew L Evans, Johan Bergsma, Andrius Merkys, Casper Welzel Andersen, Oskar B Andersson, Daniel Beltrán, Evgeny Blokhin, Tara M Boland, Rubén Castañeda Balderas, Kamal Choudhary, Alberto Díaz Díaz, Rodrigo Domínguez García, Hagen Eckert, Kristjan Eimre, María Elena Fuentes Montero, Adam M Krajewski, Jens Jørgen Mortensen, José Manuel Nápoles Duarte, Jacob Pietryga, Ji Qi, Felipe de Jesús Trejo Carrillo, Antanas Vaitkus, Jusong Yu, Adam Zettel, Pedro Baptista de Castro, Johan Carlsson, Tiago F T Cerqueira, Simon Divilov, Hamidreza Hajiyani, Felix Hanke, Kevin Jose, Corey Oses, Janosh Riebesell, Jonathan Schmidt, Donald Winston, Christen Xie, Xiaoyu Yang, Sara Bonella, Silvana Botti, Stefano Curtarolo, Claudia Draxl, Luis Edmundo Fuentes Cobas, Adam Hospital, Zi-Kui Liu, Miguel A L Marques, Nicola Marzari, Andrew J Morris, Shyue Ping Ong, Modesto Orozco, Kristin Aslaug Persson, Kristian Sommer Thygesen, Christopher M Wolverton, Markus Scheidgen, Cormac Toher, Gareth J Conduit, Giovanni Pizzi, Saulius Gražulis, Gian Marco Rignanese, Rickard Armiento
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange. Digital discovery 3 (8) (2024)
Matthew L Evans, Johan Bergsma, Andrius Merkys, Casper Welzel Andersen, Oskar B Andersson, Daniel Beltrán, Evgeny Blokhin, Tara M Boland, Rubén Castañeda Balderas, Kamal Choudhary, Alberto Díaz Díaz, Rodrigo Domínguez García, Hagen Eckert, Kristjan Eimre, María Elena Fuentes Montero, Adam M Krajewski, Jens Jørgen Mortensen, José Manuel Nápoles Duarte, Jacob Pietryga, Ji Qi, Felipe de Jesús Trejo Carrillo, Antanas Vaitkus, Jusong Yu, Adam Zettel, Pedro Baptista de Castro, Johan Carlsson, Tiago F T Cerqueira, Simon Divilov, Hamidreza Hajiyani, Felix Hanke, Kevin Jose, Corey Oses, Janosh Riebesell, Jonathan Schmidt, Donald Winston, Christen Xie, Xiaoyu Yang, Sara Bonella, Silvana Botti, Stefano Curtarolo, Claudia Draxl, Luis Edmundo Fuentes Cobas, Adam Hospital, Zi-Kui Liu, Miguel A L Marques, Nicola Marzari, Andrew J Morris, Shyue Ping Ong, Modesto Orozco, Kristin Aslaug Persson, Kristian Sommer Thygesen, Christopher M Wolverton, Markus Scheidgen, Cormac Toher, Gareth J Conduit, Giovanni Pizzi, Saulius Gražulis, Gian Marco Rignanese, Rickard Armiento
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange. Digital discovery 3 (8) (2024)
Alessandro Coretti, T Baird, Rodolphe Vuilleumier, Sara Bonella
Mass-zero constrained dynamics for simulations based on orbital-free density functional theory. The Journal of chemical physics 157 (21) (2022)
Nastasia Mauger, Thomas Plé, Louis Lagardère, Sara Bonella, Étienne Mangaud, Jean-Philip Piquemal, Simon Huppert
Nuclear Quantum Effects in Liquid Water at Near Classical Computational Cost Using the Adaptive Quantum Thermal Bath. The journal of physical chemistry letters 12 (34) (2021)
Alessandro Coretti, Lamberto Rondoni, Sara Bonella
Fluctuation Relations for Dissipative Systems in Constant External Magnetic Field: Theory and Molecular Dynamics Simulations. Entropy (Basel, Switzerland) 23 (2) (2021)
Thomas Plé, Simon Huppert, Fabio Finocchi, Philippe Depondt, Sara Bonella
Sampling the thermal Wigner density via a generalized Langevin dynamics. The Journal of chemical physics 151 (11) (2019)
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 of chemical theory and computation 15 (5) (2019)
Marie Basire, Félix Mouhat, Guillaume Fraux, Amélie Bordage, Jean-Louis Hazemann, Marion Louvel, Riccardo Spezia, Sara Bonella, Rodolphe Vuilleumier
Fermi resonance in CO2: Mode assignment and quantum nuclear effects from first principles molecular dynamics. The Journal of chemical physics 146 (13) (2018)
Alessandro Coretti, Sara Bonella, Giovanni Ciccotti
Communication: Constrained molecular dynamics for polarizable models. The Journal of chemical physics 149 (19) (2018)
Sara Bonella, Mauro Ferrario, Giovanni Ciccotti
Thermal Diffusion in Binary Mixtures: Transient Behavior and Transport Coefficients from Equilibrium and Nonequilibrium Molecular Dynamics. Langmuir : the ACS journal of surfaces and colloids 33 (42) (2017)