What are the main types of electronic models used in atomistic simulations?
1.1.- Ab initio quantum mechanical (or first principle) models Hartree-Fock [...]
1.1.- Ab initio quantum mechanical (or first principle) models Hartree-Fock [...]
The following are examples of properties that can be calculated [...]
These are examples where SIMUNE´s simulations can be applied: Graphene [...]
Experimental testing is usually an expensive task. Simulations can reduce [...]
A simulation is a computational tool that substitutes and complements [...]