Konrad, JulianJulianKonrad2025-10-062025-10-062025https://hdl.handle.net/11420/57788This dataset provides training data and examples for building the SA-GPR model. It includes a representative molecular dynamics simulation of an epoxy system deformed to 5% strain, along with the calculation of the vibrational power spectrum from the charge-weighted velocity autocorrelation function.https://creativecommons.org/publicdomain/mark/1.0/Natural Sciences and Mathematics::541: Physical; TheoreticalSimulation Datahttps://doi.org/10.15480/882.1594810.15480/882.15948Meißner, RobertRobertMeißner