Author

J. Carrete

2 papers indexed here

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Preprint Sep 2026

Symmetry-based modal analysis of heat transport in molecular dynamics of quasi-1D systems

Detailed analysis of thermal conductivity results obtained from molecular dynamics (MD) trajectories conventionally relies on knowledge of the harmonic vibrational modes of the system. This is the case in methods like Green-Kubo modal analysis (GKMA) and homogeneous nonequilibrium modal analysis (HNEMA). However, arbit...

Yu-Jie Cen, Sandro Wieser, Georg K. H. Madsen et al. · 0 citations

Preprint Sep 2026

Molecular-dynamics-based modal analysis of heat transport in quasi-one-dimensional systems from a symmetry-adapted perspective

Detailed analysis of thermal conductivity results obtained from molecular dynamics (MD) trajectories conventionally relies on knowledge of the harmonic vibrational modes of the system. Such is the case in methods like Green--Kubo modal analysis (GKMA) and homogeneous nonequilibrium modal analysis (HNEMA). This approach...

Yu-Jie Cen, Sandro Wieser, Georg K. H. Madsen et al. · 0 citations