Material Science
Density
100%
Electronic Property
33%
Silicon
24%
Electronic Structure
21%
Surface Energy
20%
Crystalline Material
20%
Liquid Water
18%
Hydrogen Bonding
15%
Amorphous Material
12%
Gallium Arsenide
10%
Carbon Nanotube
10%
Oxide Compound
10%
Structural Property
9%
Nanotube
9%
Graphene
8%
Electronic Structure Calculation
7%
Monolayers
7%
Dielectric Material
7%
Ab Initio Calculation
6%
Ab Initio Simulation
6%
Atomic Structure
6%
Self-Diffusion
6%
Molecular Simulation
6%
Point Defect
6%
Oxidation Reaction
6%
Nucleation
5%
Diamond
5%
Magnesium Oxide
5%
Sodium
5%
Diffusivity
5%
Doping (Additives)
5%
Simulated Annealing
5%
Chemistry
Molecular Dynamics
52%
First Principle
27%
Density Functional Theory
23%
Structure
17%
Pseudopotential
16%
Electronic Property
15%
Ice
14%
Electronic State
11%
Silicon
11%
Ground State
11%
Liquid Water
9%
Molecular Dynamics Study
9%
Energetics
7%
Relaxation
7%
Hydrogen
7%
Transition of Liquid Modification
6%
Ionization Potential
5%
Magnesium Oxide
5%
Local-Density Approximation
5%
Hydrogen Bonding
5%
Potential Energy Surface
5%
Gibbs Free Energy
5%
Plane Wave
5%
Structure Factor
5%
Hydrogenase
5%
Keyphrases
Ab Initio Molecular Dynamics
9%
Density Functional Theory
6%
Liquid-liquid Transition
6%
Electronic Structure
5%
Molecular Dynamics Study
5%
