Calculating the vibrational thermodynamic properties of bulk oxides using lattice dynamics and molecular dynamics

Engineering & Materials Science

• Lattice vibrations 100%
• Molecular dynamics 60%
• Thermodynamic properties 50%
• Oxides 46%
• Atoms 37%
• Phonons 28%
• Free energy 21%
• Temperature 14%
• Computer simulation 9%

Chemistry

• Lattice Dynamics 79%
• Thermodynamic Property 47%
• Molecular Dynamics 39%
• Oxide 29%
• Simulation 22%
• Gibbs Free Energy 13%

Physics & Astronomy

• thermodynamic properties 43%
• molecular dynamics 38%
• oxides 33%
• atoms 18%
• free energy 14%
• simulation 13%
• phonons 12%
• temperature 10%
• approximation 9%