Scalable Parallel Numerical Methods and Software Tools for Material Design. - Eric J. Bylaska; Scott R. Kohn; Scott B. Baden; Alan Edelman; Ryoichi Kawai; M. Elizabeth G. Ong; John H. Weare (PP, 1995)

NWChem: New Functionality. - Theresa L. Windus; Eric J. Bylaska; Michel Dupuis; So Hirata; Lisa Pollack; Dayle M. Smith; Tjerk P. Straatsma; Edoardo Aprà (International Conference on Computational Science, 2003)

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations. - Marat Valiev; Eric J. Bylaska; Niranjan Govind; Karol Kowalski; Tjerk P. Straatsma; Hubertus Johannes Jacobus Van Dam; D. Wang; Jarek Nieplocha; Edoardo Aprà; Theresa L. Windus; Wibe A. de Jong (Comput. Phys. Commun., 2010)

Parallel implementation of gamma-point pseudopotential plane-wave DFT with exact exchange. - Eric J. Bylaska; Kiril Tsemekhman; Scott B. Baden; John H. Weare; Hannes Jónsson (J. Comput. Chem., 2011)

NWChem. - Niranjan Govind; Eric J. Bylaska; Wibe A. de Jong; Karol Kowalski; Tjerk P. Straatsma; Marat Valiev; Hubertus Johannes Jacobus Van Dam (Encyclopedia of Parallel Computing, 2011)

Bamboo: translating MPI applications to a latency-tolerant, data-driven form. - Tan Nguyen 001; Pietro Cicotti; Eric J. Bylaska; Dan Quinlan; Scott B. Baden (SC, 2012)

Towards Highly scalable Ab Initio Molecular Dynamics (AIMD) Simulations on the Intel Knights Landing Manycore Processor. - Mathias Jacquelin; Wibe A. de Jong; Eric J. Bylaska (IPDPS, 2017)

Performance Evaluation of NWChem Ab-Initio Molecular Dynamics (AIMD) Simulations on the Intel® Xeon Phi™ Processor. - Eric J. Bylaska; Mathias Jacquelin; Wibe A. de Jong; Jeff R. Hammond; Michael Klemm (ISC Workshops, 2017)

Automatic translation of MPI source into a latency-tolerant, data-driven form. - Tan Nguyen 001; Pietro Cicotti; Eric J. Bylaska; Daniel J. Quinlan; Scott B. Baden (J. Parallel Distributed Comput., 2017)

Q# and NWChem: Tools for Scalable Quantum Chemistry on Quantum Computers. - Guang Hao Low; Nicholas P. Bauman; Christopher E. Granade; Bo Peng; Nathan Wiebe; Eric J. Bylaska; Dave Wecker; Sriram Krishnamoorthy; Martin Roetteler; Karol Kowalski; Matthias Troyer; Nathan A. Baker (CoRR, 2019)

Periodic Plane-Wave Electronic Structure Calculations on Quantum Computers. - Duo Song; Nicholas P. Bauman; Guen Prawiroatmodjo; Bo Peng; Cassandra Granade; Kevin M. Rosso; Guang Hao Low; Martin Roetteler; Karol Kowalski; Eric J. Bylaska (CoRR, 2022)