Composition-induced structural transitions in mixed Lennard-Jones clusters: Global reparametrization and optimization. - Johannes M. Dieterich; Bernd Hartke (J. Comput. Chem., 2011)

Empirical review of standard benchmark functions using evolutionary global optimization - Johannes M. Dieterich; Bernd Hartke (CoRR, 2012)

Atomdroid: A Computational Chemistry Tool for Mobile Platforms. - Jonas Feldt; Ricardo A. Mata; Johannes M. Dieterich (J. Chem. Inf. Model., 2012)

Computation of Induced Dipoles in Molecular Mechanics Simulations Using Graphics Processors. - Frederico Pratas; Leonel Sousa; Johannes M. Dieterich; Ricardo A. Mata (J. Chem. Inf. Model., 2012)

Shared-memory parallelization of a local correlation multi-reference CI program. - Johannes M. Dieterich; David B. Krisiloff; Alexander Gaenko; Florian Libisch; Theresa L. Windus; Mark S. Gordon; Emily A. Carter (Comput. Phys. Commun., 2014)

A graph-based short-cut to low-energy structures. - Johannes M. Dieterich; Bernd Hartke (J. Comput. Chem., 2014)

Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations. - Mohan Chen 002; Junchao Xia; Chen Huang; Johannes M. Dieterich; Linda Hung; Ilgyou Shin; Emily A. Carter (Comput. Phys. Commun., 2015)

libKEDF: An accelerated library of kinetic energy density functionals. - Johannes M. Dieterich; William C. Witt; Emily A. Carter (J. Comput. Chem., 2017)

Adaptive parallelism with RMI: Idle high-performance computing resources can be completely avoided. - Florian Spenke; Karsten Balzer; Sascha Frick; Bernd Hartke; Johannes M. Dieterich (CoRR, 2018)

Exploring self-organization of molecular tether molecules on a gold surface by global structure optimization. - Antonia Freibert; Johannes M. Dieterich; Bernd Hartke (J. Comput. Chem., 2019)