Interpolation effects in tabulated interatomic potentials

Keyphrases

• Interatomic Potential 100%
• Model Drivers 100%
• Molecular Dynamics Simulation 50%
• Atomistic Simulation 50%
• Parameterized Model 50%
• Finite Temperature 50%
• Thermal Expansion 50%
• Total Energy 50%
• Functional Form 50%
• Splines 50%
• Functional Types 50%
• Quantum Calculations 50%
• Force Model 50%
• Quasi-harmonic 50%
• Value Function 50%
• Elastic Constants 50%
• Atomic Force 50%
• Cubic Spline 50%
• One-dimensional Chain 50%
• OpenKIM 50%
• Energy Model 50%
• Higher-order Derivatives 50%
• Spline Model 50%
• Potential Prediction 50%
• Quintic Spline 50%
• Empirical Interatomic Potential 50%
• Expansion Temperature 50%
• Lattice Dynamic Properties 50%
• Energy Forces 50%

Mathematics

• Data Point 100%
• Interatomic Potential 100%
• Lattices 50%
• Spline 50%
• Function Value 50%
• Type Model 50%
• Spline Model 50%
• Functional Form 50%
• Arbitrary Point 50%