Xsorb: A software for identifying the most stable adsorption configuration and energy of a molecule on a crystal surface.
Enrico PedrettiPaolo RestucciaMaria Clelia RighiPublished in: Comput. Phys. Commun. (2023)
Keyphrases
- low energy
- three dimensional
- software systems
- software tools
- low cost
- software development
- energy consumption
- software architecture
- software developers
- surface features
- surface registration
- configuration space
- software package
- software design
- software maintenance
- energy efficient
- information systems
- energy saving
- free form
- energy minimization
- hardware design
- power consumption
- vector field
- source code
- d objects
- surface fitting