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cond-mat.mtrl-sci2026
Symmetry-based modal analysis of heat transport in molecular dynamics of quasi-1D systems
Yu-Jie Cen, Sandro Wieser, Georg K. H. Madsen +1
Detailed analysis of thermal conductivity results obtained from molecular dynamics (MD) trajectories conventionally relies on knowledge of the harmonic vibrational modes of the sys…
physics.comp-ph2026
Pulgon-tools: A toolkit for analysing and harnessing symmetries in quasi-1D systems
Yu-Jie Cen, Sandro Wieser, Georg K. H. Madsen +1
Pulgon-tools is an open-source software package providing building blocks for the analysis and modeling of quasi-one-dimensional (quasi-1D) periodic systems based on line-group the…