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Theoretical analysis of spectral lineshapes from molecular dynamics
Andrew Cupo
, Damien Tristant
, Kyle Rego
,
Vincent Meunier
Engineering Science and Mechanics
Research output
:
Contribution to journal
›
Article
›
peer-review
6
Scopus citations
Overview
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Dive into the research topics of 'Theoretical analysis of spectral lineshapes from molecular dynamics'. Together they form a unique fingerprint.
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Keyphrases
Molecular Dynamics
100%
Phonon Properties
100%
Anharmonicity
100%
Well-defined
50%
Temperature Effect
50%
Order of Magnitude
50%
Thermoelectric Materials
50%
Computationally Expensive
50%
Toy Model
50%
Density Functional Theory
50%
Phonons
50%
Graphene
50%
Hexagonal Boron Nitride (h-BN)
50%
Thermal Conductivity
50%
Frequency Shift
50%
Vibrational Frequencies
50%
Simulation Time
50%
Vibrational Properties
50%
Extraction Methods
50%
Quasiparticles
50%
Vibrational Lifetimes
50%
Anharmonic Phonons
50%
Signal Analysis
50%
Line Shape
50%
Chemistry
Molecular Dynamics
100%
Lineshape
100%
Phonon
100%
Anharmonicity
66%
Density Functional Theory
33%
Graphene
33%
Silicon
33%
Quasiparticle
33%
Vibrational Frequency
33%
Isolation Method
33%
Thermoelectric Materials
33%
Thermal Conductivity
33%
Boron Nitride
33%
Material Science
Lineshape
100%
Silicon
50%
Density
50%
Thermoelectric Materials
50%
Graphene
50%
Boron Nitride
50%
Thermal Conductivity
50%
Engineering
Conductivity Contribution
100%