Procedure for building a consistent embedding at the QM-CM interface

Engineering & Materials Science

• Atoms 50%
• Silica 50%
• Dangling bonds 44%
• Density functional theory 36%
• Charge density 34%
• Hamiltonians 29%
• Composite materials 28%
• Polarization 22%

Chemical Compounds

• Quantum Mechanical Method 100%
• Strain 22%
• Nanorod 18%
• Dangling Bond 13%
• Hamiltonian 12%
• Composite Material 10%
• Dipole 10%
• Charge Density 10%
• Rod Like Crystal 9%
• Polarization 7%
• Force 7%
• Density Functional Theory 6%

Mathematics

• Nanorods 30%
• Silica 25%
• Composite 14%
• Density Functional Theory 11%
• Linear Response 11%
• Fidelity 10%
• Dipole 10%
• Percent 9%
• Polarization 9%
• Termination 8%
• Electronics 8%
• Remainder 8%
• Charge 8%
• Model 5%
• Ring 5%
• Context 5%