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Extended first-principles molecular dynamics model for high temperature simulations in the Abinit code: Application to warm dense aluminum

Augustin Blanchet, Jean Clérouin, Marc Torrent, François Soubiran

2021Computer Physics Communications32 citationsDOI

Topics & Concepts

Warm dense matterAb initioMolecular dynamicsRange (aeronautics)Statistical physicsPhysicsEquation of stateElectronQuantumCode (set theory)Atomic orbitalComputational physicsComputer scienceMaterials scienceQuantum mechanicsComposite materialSet (abstract data type)Programming languageHigh-pressure geophysics and materialsAdvanced Chemical Physics StudiesAtomic and Molecular Physics
Extended first-principles molecular dynamics model for high temperature simulations in the Abinit code: Application to warm dense aluminum | Litcius