Regula Walser

Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries

Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems

Comparison of different schemes to treat long‐range electrostatic interactions in molecular dynamics simulations of a protein crystal

The effect of force-field parameters on properties of liquids: Parametrization of a simple three-site model for methanol