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