Keyphrases
Ammonia
14%
Arizona
14%
Bond Breaking
28%
Bond Formation
14%
Challenging Problems
14%
Chemical Reaction
7%
Chemo-mechanical
100%
Classical Model
14%
Classical Physics
14%
Classical Simulation
14%
Computational Speed
14%
Computationally Intensive
14%
Computer Modeling of Materials
14%
Density Functional Theory
14%
Density Operator
14%
Dielectric
14%
Electron States
14%
Electron Transport
28%
Electronic States
28%
Excited Electronic States
14%
Florida
14%
Functional Form
14%
Ground Electronic State
14%
Information Technology Research
50%
Liouville
14%
Material Computation
28%
Material Modeling
42%
Material Simulation
28%
Materials Research
14%
Mechanical Phenomena
100%
Molecular Simulation
28%
Nanostructures
14%
New Theoretical Model
28%
Optical Properties
7%
Order of Magnitude
7%
Part Model
14%
Popular
7%
Predictive Quality
14%
Predictive Simulation
100%
Quantum Calculations
14%
Quantum Mechanics
50%
Rapid Generation
14%
Real Materials
100%
Silica
28%
Silica Nanospheres
28%
Software Implementation
14%
State-specific
28%
Tight-binding
14%
Undergraduate Students
14%
Von Neumann
14%
Water Effect
28%
Engineering
Computer Simulation
16%
Critical Region
33%
Density Operator
33%
Dielectrics
16%
Do Model
33%
Electronic State
100%
Functional Form
33%
Hamiltonian
50%
Information Technology
50%
Liouville
33%
Made Material
33%
Mechanical Phenomenon
100%
Multi-Scale Approach
33%
Nanorod
66%
Simulation Result
66%
Theoretical Method
66%