Keyphrases
AMOEBA Force Field
100%
Molecular Mechanics
100%
Quantum Mechanical
100%
Polarizable
100%
Amoeba
50%
Interaction Energy
25%
Self-consistency
25%
Plane Wave
25%
Degrees of Freedom
25%
Gradient Method
25%
Simultaneous Optimization
25%
Classical Representation
25%
Charged Molecules
25%
QM Calculation
25%
AMOEBA Polarizable Force Field
25%
Distributed multipole Analysis
25%
Polarizable Force Field
25%
Neutral Molecules
25%
On the Fly
25%
Mutual Polarization
25%
Total Energy Minimization
25%
Solute-solvent Interactions
25%
Quantum Subsystem
25%
Sinc Basis Function
25%
Linear-scaling DFT
25%
DFT Approach
25%
Localized Orbitals
25%
Polarization Interaction
25%
Physics
Field Theory (Physics)
100%
Multipole
66%
Electrostatics
33%
Energy Minimization
33%
Degree of Freedom
33%
Density Functional Theory
33%
Plane Wave
33%
Chemistry
Molecular Mechanic
100%
Multipole
50%
Density Functional Theory
25%
Energy Minimization
25%
Electrostatic Force
25%
Plane Wave
25%
Chemical Engineering
Molecular Mechanics
100%
Auxiliaries
25%