Keyphrases
ReaxFF
100%
ReaxFF Reactive Force Field
72%
Force Field
49%
Molecular Dynamics Simulation
32%
ReaxFF Force Field
31%
Reactive Force Field
29%
Amorphous Silica
26%
Electrolyte
24%
Reactive Molecular Dynamics
23%
Molecular Dynamics Study
21%
ReaxFF Molecular Dynamics
20%
Water System
18%
Atomistic Simulation
17%
Metal-organic Frameworks (MOFs)
17%
Force Field Development
15%
Biomolecules
15%
Reactive Potential
13%
Surface Segregation
12%
Radial Distribution Function
12%
Two Dimensional Materials
12%
Molecular Interactions
12%
Covalent Organic Frameworks
12%
Tungsten
12%
Silica Surface
12%
Force Field Parameters
11%
Na +
11%
Elastic Constants
10%
Diffusivity
10%
Organic Solvent Nanofiltration
10%
Quantum Mechanical Calculations
10%
Al-Ni Alloy
10%
Phosphate
10%
Binding Energy
9%
Anions
9%
Grand Canonical Monte Carlo
9%
Non-reactivity
9%
Variable Charge
9%
Oxygen Diffusion
9%
High Temperature
9%
Water Dynamics
9%
Alloy Surface
9%
Zeolitic Imidazolate Framework
9%
Metal Ions
9%
Carboxylate
9%
Organic Solvents
9%
Force Field Model
9%
Chlorine
9%
Oxide Surfaces
9%
Atomic Simulation
8%
Interatomic Potential
8%
Material Science
Silicon Dioxide
36%
Density
31%
Metal-Organic Framework
27%
Oxide Compound
22%
Covalent Organic Framework
18%
Oxidation Reaction
17%
Two-Dimensional Material
16%
Organic Solvents
15%
Film
13%
Diffusivity
13%
Platinum
12%
Binary Alloy
11%
MXene
10%
Self-Diffusion
8%
Thin Films
8%
Pore Size
8%
Heterojunction
8%
Alkali Metal
8%
Hydrogen Bonding
7%
Transition Metal
7%
Anode
7%
Lithium
7%
Nitrogen Dioxide
7%
Monolayers
7%
Titanium Dioxide
6%
Sapphire
6%
Atomic Structure
6%
Polyurethane
6%
Binder Jetting
6%
Titanium
6%
Anisotropy
6%
Electrochemical Reaction
6%
Titanate
6%
Shape Memory
6%
Reduced Graphene Oxide
6%
Energy Materials
6%
Ionic Conductivity
6%
Thermal Property
6%
Grain Boundary
6%
Three Dimensional Printing
6%
Glass Transition Temperature
6%
Hydrogen Peroxide
6%
Glass Formation
6%
Carbon Dioxide
6%
Engineering
Covalent Organic Framework
18%
Surface Oxide
18%
Field Development
12%
Electrolysis Cell
12%
Interatomic Potential
12%
Ni Alloy
12%
Iron
10%
Oxygen Specie
10%
Covalent
9%
Oxygen Vacancy
8%
Dynamic Process
8%
Field Model
8%
Potential Application
8%
Radial Distribution
7%
Electrical Double Layer
7%
Double Layer
7%
Atomistic Modeling
7%
Low-Temperature
7%
Charge Density
7%
Nanofiltration
7%
Simulation Result
6%
Phase Formation
6%
Atmospheric Pressure
6%
Binder Jetting
6%
Multiscale Model
6%
Polyurethan
6%
Secondary Phase
6%
Pressure Plasma
6%
Experimental Platform
6%
Organic Molecule
6%
Electrolyte Ion
6%
Oxygen Atom
6%
Accurate Prediction
6%
Molecular Level
6%
Interfacial Layer
6%
Breaking Strength
6%
Field Method
6%
Dynamic Property
6%
Multiscale Modeling
6%
Experimental Value
6%
Surface Model
6%
Charged Surface
6%
