High performance computation and interactive display of molecular orbitals on GPUs and multi-core CPUs. - John E. Stone; Jan Saam; David J. Hardy; Kirby L. Vandivort; Wen-mei W. Hwu; Klaus Schulten (GPGPU, 2009)

Rapid parameterization of small molecules using the force field toolkit. - Christopher G. Mayne; Jan Saam; Klaus Schulten; Emad Tajkhorshid; James C. Gumbart (J. Comput. Chem., 2013)

VMD as a Platform for Interactive Small Molecule Preparation and Visualization in Quantum and Classical Simulations. - Mariano Spivak; John E. Stone; João Ribeiro 003; Jan Saam; Peter L. Freddolino; Rafael C. Bernardi; Emad Tajkhorshid (J. Chem. Inf. Model., 2023)