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cond-mat.soft2026
From oligomers to entangled polymers: How to train a transferable machine learning interatomic potential
Mirko Fischer, Andreas Heuer
Over the past decade, Machine Learning Interatomic Potentials (MLIPs) have emerged as a powerful technique for performing molecular dynamics (MD) simulations with nearly ab initio…
cond-mat.soft2025
Exploring nonlinear ion dynamics in polymer electrolytes from the perspective of hopping models
Alina Wettstein, Diddo Diddens, Andreas Heuer
Relevant information about the nature of the dynamics of ions in electrolytes can be obtained by studying the nonlinear dependence on an applied electric field. Here we use molecul…