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Journal of Chemical Theory and Computation|January 26, 2021
rs@md: Introducing Reactive Steps at the Molecular Dynamics Simulation LevelMyra Biedermann, Diddo Diddens, Andreas HeuerThe Journal of Chemical Physics|July 9, 2021
Connecting the quantum and classical mechanics simulation world: Applications of reactive step molecular dynamics simulationsMyra Biedermann, Diddo Diddens, Andreas HeuerThe Journal of Chemical Physics|April 24, 2023
Hydrodynamic interactions in ion transport-Theory and simulationDiddo Diddens, Andreas HeuerThe Journal of Chemical Physics|January 10, 2015
Chain end mobilities in polymer melts--a computational studyDiddo Diddens, Andreas HeuerACS Macro Letters|May 18, 2022
Lithium Ion Transport Mechanism in Ternary Polymer Electrolyte-Ionic Liquid Mixtures: A Molecular Dynamics Simulation StudyDiddo Diddens, Andreas HeuerThe Journal of Physical Chemistry. B|January 4, 2014
Simulation study of the lithium ion transport mechanism in ternary polymer electrolytes: the critical role of the segmental mobilityDiddo Diddens, Andreas HeuerThe Journal of Chemical Physics|December 2, 2024
Insights into polymer electrolyte stability and reaction pathways: A first-principle calculations studyKazem Zhour, Andreas Heuer, Diddo DiddensPhysical Chemistry Chemical Physics : PCCP|February 25, 2022
Controlling Li+ transport in ionic liquid electrolytes through salt content and anion asymmetry: a mechanistic understanding gained from molecular dynamics simulationsAlina Wettstein, Diddo Diddens, Andreas HeuerPhysical Chemistry Chemical Physics : PCCP|January 5, 2024
Electron transfer reaction of TEMPO-based organic radical batteries in different solvent environments: comparing quantum and classical approachesSouvik Mitra, Andreas Heuer, Diddo DiddensThe Journal of Chemical Physics|December 12, 2025
Exploring nonlinear ion dynamics in polymer electrolytes from the perspective of hopping modelsAlina Wettstein, Diddo Diddens, Andreas HeuerPageof 20