Chemistry
Diffusion Monte Carlo
58%
Density Functional Theory
56%
Electronic State
27%
formation
26%
Ground State
23%
Energetics
22%
Pseudopotential
21%
Transition Metal Oxide
21%
Band Gap
20%
Transition Metal
20%
Monte Carlo Method
18%
stability
18%
Quantum Monte Carlo Methods
18%
electronics
16%
Magnetism
16%
Oxygen Vacancy
14%
Metal Insulator Transition
12%
Electron Correlation
12%
Doping Material
11%
Local-Density Approximation
11%
Electronic Property
10%
Antiferromagnetic
10%
dimer
10%
Cohesive Energy
9%
Generalized Gradient Approximation
9%
First Principle
9%
Phonon
8%
Wave Function
8%
K
7%
Fermi Level
7%
Ionization Potential
7%
Phase Stability
7%
Configuration Interaction
6%
Magnetic Property
6%
Magnetic Moment
5%
Enthalpy of Atomization
5%
Magnetic Ordering
5%
Electron Density
5%
Gaussian Distribution
5%
Vanadium Dioxide
5%
Lattice Constant
5%
Density Functional Theory
5%
Material Science
Density
100%
Oxide Compound
41%
Energy Levels
29%
Electronic Property
23%
Oxygen Vacancy
23%
Transition Metal Oxide
17%
Magnetism
15%
Ferromagnetism
14%
Heterojunction
14%
Doping (Additives)
13%
Vanadium
12%
Magnetic Property
11%
Transition Metal
11%
Elastic Moduli
9%
Monolayers
9%
Surface (Surface Science)
9%
Lattice Constant
9%
Carrier Concentration
9%
Titanium Dioxide
8%
Optical Property
6%
Potassium
6%
Thin Films
6%
Graphene
6%
Materials Design
6%
Surface Energy
6%
Oxidation Reaction
5%
Lanthanum
5%
Chemical Bonding
5%
Superlattice
5%
Polymorphism
5%
Vacancy Defect
5%
Engineering
Electronic State
19%
Energy Levels
19%
Nodes
17%
Energetics
14%
Band Gap
12%
Real Space
11%
Energy Surface
10%
Ground State
8%
Localization Error
8%
Gaussians
8%
Structural Parameter
7%
Heavy Element
7%
Two Dimensional
7%
Generalized Gradient Approximation
7%
Cohesive Energy
6%
Line Search
6%
Computational Cost
6%
Flux Density
6%
Broad Range
5%
Potential Energy
5%
Phase Stability
5%
Structure Type
5%
Thermodynamic Limit
5%
