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James C. Phillips, Klaus Schulten, Abhinav Bhatele, Chao Mei, Yanhua Sun, Eric J. Bohm, Laxmikant V. Kalé. Scalable Molecular Dynamics with NAMD. In Laxmikant V. Kalé, Abhinav Bhatele, editors, Parallel Science and Engineering Applications - The Charm++ Approach. Series in Computational Physics, pages 61-78, CRC Press, 2013.

The following publications are possibly variants of this publication:

Scalable molecular dynamics with NAMDJames C. Phillips, Rosemary Braun, Wei Wang, James Gumbart, Emad Tajkhorshid, Elizabeth Villa, Christophe Chipot, Robert D. Skeel, Laxmikant V. Kalé, Klaus Schulten. jcc, 26(16):1781-1802, 2005. [doi]

Scalable molecular dynamics with NAMD on the Summit systemBilge Acun, David J. Hardy, Laxmikant V. Kalé, Keqin Li 0001, James C. Phillips, John E. Stone. ibmrd, 62(6), 2018. [doi]

Scalable molecular dynamics with NAMD on the IBM Blue Gene/L systemSameer Kumar, Chao Huang, Gengbin Zheng, Eric J. Bohm, Abhinav Bhatele, James C. Phillips, Hao Yu, Laxmikant V. Kalé. ibmrd, 52(1-2):177-188, 2008. [doi]

Generalized scalable multiple copy algorithms for molecular dynamics simulations in NAMDWei Jiang, James C. Phillips, Lei Huang, Mikolai Fajer, Yilin Meng, James C. Gumbart, Yun Luo, Klaus Schulten, Benoît Roux. cphysics, 185(3):908-916, 2014. [doi]

NAMD: a Parallel, Object-Oriented Molecular Dynamics ProgramMark T. Nelson, William Humphrey, Attila Gürsoy, Andrew Dalke, Laxmikant V. Kalé, Robert D. Skeel, Klaus Schulten. ijhpca, 10(4):251-268, 1996. [doi]

Achieving strong scaling with NAMD on Blue Gene/LSameer Kumar, Chao Huang, George Almási, Laxmikant V. Kalé. ipps 2006: [doi]

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