Non-equilibrium Green functions method 3 Density functional theory 2 Electronic structure 2 Electrons 2 History of engineering and technology 2 Interacting bosons 2 Interacting electrons 2 Linear-scaling 2 Realtime simulation (RTS) 2 Ab initio electronic structure methods 1 Biocompatibility 1 Bosons 1 Carbon 1 Carbon allotropes 1 Chemical analysis 1 Computation theory 1 Computational chemistry 1 Computational materials science 1 Contemporary techniques 1 Density-functional theory calculations 1 Doublons 1 Dynamics 1 Electrochemical sensors 1 Electron-electron interactions 1 Electron-phonon interactions 1 Electronic properties 1 Electronic structure theory 1 Electronic transport 1 Electronic.structure 1 Energetic and electronic properties 1