Automatic parameterization of force fields for liquids by simplex optimization. - Roland Faller; Heiko Schmitz; Oliver Biermann; Florian Müller-Plathe (J. Comput. Chem., 1999)

Systematic coarse-graining of atomistic models for simulation of polymeric systems. - Qi Sun; Roland Faller (Comput. Chem. Eng., 2005)

Directional Statistics of Preferential Orientations of Two Shapes in Their Aggregate and Its Application to Nanoparticle Aggregation. - Ali Esmaieeli Sikaroudi; David A. Welch 002; Taylor J. Woehl; Roland Faller; James E. Evans; Nigel D. Browning; Chiwoo Park (Technometrics, 2018)

ACPYPE update for nonuniform 1-4 scale factors: Conversion of the GLYCAM06 force field from AMBER to GROMACS. - Austen Bernardi; Roland Faller; Dirk Reith; Karl N. Kirschner (SoftwareX, 2019)

GenEvaPa: A generic evaporation package for modeling evaporation in molecular dynamics simulations. - Bradley Harris; Gang-Yu Liu; Roland Faller (Comput. Phys. Commun., 2023)