Integral algorithm and density matrix integration scheme for ab initio band structure calculations on polymeric systems. - Denis Jacquemin; Benoît Champagne 002; Jean-Marie André; Erik Deumens; Yngve Öhrn (J. Comput. Chem., 2002)

PUPIL: A systematic approach to software integration in multi-scale simulations. - Juan Torras; Yao He; Chao Cao; Krishna Muralidharan; Erik Deumens; H.-P. Cheng; Samuel B. Trickey (Comput. Phys. Commun., 2007)

Refactoring a language for parallel computational chemistry. - Beverly A. Sanders; Erik Deumens; Victor Lotrich; Mark Ponton (WRT@OOPSLA, 2008)

A versatile AMBER-Gaussian QM/MM interface through PUPIL. - Juan Torras; Gustavo de M. Seabra; Erik Deumens; Samuel B. Trickey; Adrian E. Roitberg (J. Comput. Chem., 2008)

An infrastructure for scalable and portable parallel programs for computational chemistry. - Victor Lotrich; Norbert Flocke; Mark Ponton; Beverly A. Sanders; Erik Deumens; Rodney J. Bartlett; Ajith Perera (ICS, 2009)

A Block-Oriented Language and Runtime System for Tensor Algebra with Very Large Arrays. - Beverly A. Sanders; Rodney J. Bartlett; Erik Deumens; Victor Lotrich; Mark Ponton (SC, 2010)

Comment on "a minimal implementation of the AMBER-GAUSSIAN interface for Ab Initio QM/MM-MD simulation". - Benjamin P. Roberts; Gustavo de M. Seabra; Adrian E. Roitberg; Kenneth M. Merz Jr.; Erik Deumens; Juan Torras; Samuel B. Trickey (J. Comput. Chem., 2012)

SIPMaP: A Tool for Modeling Irregular Parallel Computations in the Super Instruction Architecture. - Nakul Jindal; Victor Lotrich; Erik Deumens; Beverly A. Sanders (IPDPS, 2013)

Exploiting GPUs with the Super Instruction Architecture. - Nakul Jindal; Victor Lotrich; Erik Deumens; Beverly A. Sanders (Int. J. Parallel Program., 2016)

Secure Research Infrastructure Using tiCrypt. - Erik Deumens; Thomas Samant; Eric Byrd; Samuel Porter; Axel Haenssen; Curtis W. Hillegas; Elizabeth Holtz; Irene Kopaliani (PEARC, 2021)

Building an AI-ready RSE Workforce. - Ying Zhang; Matthew A. Gitzendanner; Dan S. Maxwell; Justin W. Richardson; Kaleb E. Smith; Eric A. Stubbs; Brian J. Stucky; Jingchao Zhang; Erik Deumens (CoRR, 2021)

Compliance Requirements in Research. - Erik Deumens; Carolyn Ellis (Commun. ACM, 2025)