Quantum mechanics at the core of multi-scale simulations

Keyphrases

• Density Functional Theory 100%
• Quantum Mechanics 100%
• Multiscale Simulation 100%
• Particle Theory 66%
• One-particle 66%
• Order of Magnitude 33%
• Electronic Properties 33%
• Electron Affinity 33%
• Complementary Approach 33%
• Electronic Structure 33%
• Wave Function 33%
• Ionization Potential 33%
• Energy Forces 33%
• Electronic Energy 33%
• Ab Initio Quantum Chemistry 33%
• Energy Properties 33%
• Hamiltonian Approach 33%
• Neglect of Diatomic Differential Overlap 33%
• Multiscale Molecular Dynamics 33%

Chemistry

• Density Functional Theory 100%
• Quantum Mechanics 100%
• Particle Theory 66%
• Electronic State 33%
• Molecular Dynamics 33%
• Electron Affinity 33%
• Quantum Chemistry 33%
• Ionization Potential 33%
• Neglect of Diatomic Differential Overlap 33%