An interesting property of the Voronoi tessellation is studied in the context of its application to the analysis of hydration shells in computer simulation of solutions. Namely the...
V. P. Voloshin, Alexey V. Anikeenko, Nikolai N. Me...
We present the Data Parallel Fortran (DPF) benchmark suite, a set of data parallel Fortran codes forevaluatingdata parallel compilers appropriatefor any target parallel architectu...
Y. Charlie Hu, S. Lennart Johnsson, Dimitris Kehag...
Abstract Advances in high performance computing, communications, and user interfaces enable developers to construct increasingly interactive high performance applications. The Falc...
This paper studies mathematical models of biopolymer supramolecular aggregates that are formed by the self-assembly of single monomers. We develop a new multiscale numerical appro...
Lei Zhang, Leonid Berlyand, Maxim V. Fedorov, Houm...
Understanding the protein folding mechanism remains a grand challenge in structural biology. In the past several years, computational theories in molecular dynamics have been empl...