Quantum mechanics at the core of multi-scale simulations

Mathematics

• Multiscale Simulation 100%
• Density Functional Theory 87%
• Quantum Mechanics 63%
• Ionization 59%
• Electron 41%
• Electronic Structure 28%
• Quantum Chemistry 28%
• Molecular Dynamics 27%
• Affine transformation 22%
• Electronics 20%
• Systems Theory 20%
• Overlap 20%
• Energy 13%
• Design 12%
• Approximation 10%

Engineering & Materials Science

• Density functional theory 89%
• Quantum theory 87%
• Hamiltonians 71%
• Electron affinity 39%
• Ionization potential 35%
• Quantum chemistry 31%
• Electronic structure 29%
• Wave functions 27%
• Ionization 26%
• Molecular dynamics 22%
• Atoms 20%
• Electrons 20%

Chemical Compounds

• Quantum Mechanics 69%
• Hamiltonian 45%
• Simulation 38%
• Density Functional Theory 37%
• Force 27%
• Quantum Chemistry 21%
• Ionization Potential 20%
• Orbital 16%
• Ionization 16%
• Molecular Dynamics 14%
• Electronic State 14%
• Energy 9%