Chemistry
Ground State
100%
First Principle
100%
Density Functional Theory
75%
Crystal Structure
75%
Free Energy
25%
X-Ray Diffraction
25%
Potential Energy
25%
Density Functional Theory
25%
Energy Landscape
25%
Physics
First Principle
100%
Ground State
100%
Crystal Structure
75%
Density Functional Theory
75%
Density Functional Theory
25%
X Ray Diffraction
25%
Potential Energy
25%
Free Energy
25%
Keyphrases
First-principles
100%
LiBH4
100%
Density Functional Theory
37%
Free Energy
12%
Density Functional Calculations
12%
Functional Experiments
12%
Thermodynamics
12%
EnergyPlus
12%
Total Energy
12%
Computational Work
12%
Ground State Structure
12%
Method Correlation
12%
Potential Energy Landscape
12%
Flat Potential
12%
Degenerate Structure
12%
Exchange-correlation Functionals
12%
Engineering
Ground State
100%
Crystal Structure
75%
Experimental Work
25%
Mols
25%
Computational Work
25%
Potential Energy
25%
Functionals
25%
Material Science
Density
100%
Crystal Structure
75%
X-Ray Diffraction
25%
Energy Landscape
25%