Daniel Osei-Kuffuor, Jean-Luc Fattebert. A Scalable O(N) Algorithm for Large-Scale Parallel First-Principles Molecular Dynamics Simulations. SIAM J. Scientific Computing, 36(4), 2014. [doi]
@article{Osei-KuffuorF14, title = {A Scalable O(N) Algorithm for Large-Scale Parallel First-Principles Molecular Dynamics Simulations}, author = {Daniel Osei-Kuffuor and Jean-Luc Fattebert}, year = {2014}, doi = {10.1137/140956476}, url = {http://dx.doi.org/10.1137/140956476}, researchr = {https://researchr.org/publication/Osei-KuffuorF14}, cites = {0}, citedby = {0}, journal = {SIAM J. Scientific Computing}, volume = {36}, number = {4}, }