ReaxFF: A Reactive Force Field for Hydrocarbons
To make practical the molecular dynamics simulation of large scale reactive chemical systems (1000s of atoms), we developed ReaxFF, a force field for reactive systems. ReaxFF us...
Publications
View AllAssessing Mesoscale Heterogeneities in Hard Carbon Electrodes through FIB-SEM Characterization, Manufacturing and Electrochemical Modeling
Given the recent inclusion of sodium-ion batteries (SIBs) in the energy market, the optimization of their performance becomes a relevant research topic. At the electrode-level, ...
Affiliated Researchers
Institution Info
- Type
- facility
- Country
- FR
- Publications
- 3
- Citations
- 5,996
External Links
Identifiers
- ROR
- https://ror.org/03gcbhc33