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Material Science
Density
100%
Electronic Property
33%
Silicon
24%
Surface Energy
21%
Electronic Structure
20%
Crystalline Material
20%
Liquid Water
18%
Hydrogen Bonding
16%
Amorphous Material
12%
Oxide Compound
11%
Gallium Arsenide
10%
Carbon Nanotube
10%
Graphene
9%
Structural Property
9%
Nanotube
8%
Monolayers
8%
Electronic Structure Calculation
7%
Molecular Simulation
7%
Dielectric Material
7%
Ab Initio Calculation
6%
Ab Initio Simulation
6%
Atomic Structure
6%
Self-Diffusion
6%
Point Defect
5%
Oxidation Reaction
5%
Nucleation
5%
Diamond
5%
Magnesium Oxide
5%
Sodium
5%
Aluminum
5%
Diffusivity
5%
Doping (Additives)
5%
Simulated Annealing
5%
Chemistry
Molecular Dynamics
54%
First Principle
27%
Density Functional Theory
23%
Structure
17%
Pseudopotential
15%
Electronic Property
14%
Ice
14%
Electronic State
11%
Silicon
11%
Ground State
10%
Molecular Dynamics Study
9%
Liquid Water
9%
Relaxation
8%
Energetics
7%
Hydrogen
6%
Transition of Liquid Modification
6%
Hydrogen Bonding
5%
Ionization Potential
5%
Magnesium Oxide
5%
Local-Density Approximation
5%
Potential Energy Surface
5%
Gibbs Free Energy
5%
Plane Wave
5%
Keyphrases
Ab Initio Molecular Dynamics
9%
Density Functional Theory
7%
Liquid-liquid Transition
6%
Electronic Structure
5%
Molecular Dynamics Study
5%
Structural Properties
5%
