Ab Initio Molecular Dynamics Simulations of Ketocyanine Dyes in Organic Solvents. - Andrzej Eilmes (PL-Grid, 2012)

Comprehensive Support for Chemistry Computations in PL-Grid Infrastructure. - Andrzej Eilmes; Mariusz Sterzel; Tomasz Szepieniec; Joanna Kocot; Klemens Noga; Maciej Golik (PL-Grid, 2014)

Stability of ion triplets in ionic liquid/lithium salt solutions: Insights from implicit and explicit solvent models and molecular dynamics simulations. - Andrzej Eilmes; Piotr Kubisiak (J. Comput. Chem., 2015)

Behavior of Trapped Molecules in Lantern-Like Carcerand Superphanes. - Andrzej Eilmes; Miroslaw Jablonski (J. Chem. Inf. Model., 2024)