Ramkumar V. Vadali, Yan Shi, Sameer Kumar 0001, Laxmikant V. Kalé, Mark E. Tuckerman, Glenn J. Martyna. Scalable fine-grained parallelization of plane-wave-based ab initio molecular dynamics for large supercomputers. Journal of Computational Chemistry, 25(16):2006-2022, 2004. [doi]
Abstract is missing.