Immersive Molecular Visualization and Interactive Modeling with Commodity Hardware. - John E. Stone; Axel Kohlmeyer; Kirby L. Vandivort; Klaus Schulten (ISVC (2), 2010)

Fast analysis of molecular dynamics trajectories with graphics processing units - Radial distribution function histogramming. - Benjamin G. Levine; John E. Stone; Axel Kohlmeyer (J. Comput. Phys., 2011)

Implementing molecular dynamics on hybrid high performance computers - Particle-particle particle-mesh. - W. Michael Brown; Axel Kohlmeyer; Steven J. Plimpton; Arnold N. Tharrington (Comput. Phys. Commun., 2012)

Advanced Techniques for Scientific Programming and Collaborative Development of Open Source Software Packages at the International Centre for Theoretical Physics (ICTP). - Ivan Girotto; Axel Kohlmeyer; David Grellscheid; Shawn T. Brown (CoRR, 2013)

TopoGromacs: Automated Topology Conversion from CHARMM to GROMACS within VMD. - Josh Vincent Vermaas; David J. Hardy; John E. Stone; Emad Tajkhorshid; Axel Kohlmeyer (J. Chem. Inf. Model., 2016)

LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. - Aidan P. Thompson; Hasan Metin Aktulga; Richard Berger; Dan S. Bolintineanu; W. Michael Brown; Paul S. Crozier; Pieter J. in 't Veld; Axel Kohlmeyer; Stan G. Moore; Trung Dac Nguyen; Ray Shan; Mark J. Stevens; et al. (Comput. Phys. Commun., 2022)

LAMMPS: A Case Study For Applying Modern Software Engineering to an Established Research Software Package. - Axel Kohlmeyer; Richard Berger (CoRR, 2025)