4 papers
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…
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…
Match predictions in soccer: Machine learning vs. Poisson approaches
Mirko Fischer, Andreas Heuer
Predicting the results of soccer matches is of great interest. This is not only due to the popularity of the sport and the joy of private "betting rounds", but also due to the larg…
Insights into Polymer Electrolyte Stability and Reaction Pathways: A first-principle calculations study
Kazem Zhour, Andreas Heuer, Diddo Diddens
This study investigates the electrochemical behavior and decomposition pathways of four monomers, namely PMC, PMC-OH, PeMC-OH, and DEO-EA, which are potential candidates for polyme…