2008/07/09 by Edgar Luttmann, Daniel L. Ensign, Vishal Vaidyanathan +6 · 2 citations
Computer Science · Engineering · Chemistry · #Error Correcting Code Techniques #Advanced Memory and Neural Computing #Cellular Automata and Applications #Computer science #Parallel computing #Computation #Molecular dynamics #Coprocessor #Power (physics) #Computational science #Solvation #Computer architecture #Chemistry #Physics #Computational chemistry
paper · pdf · doi:10.1002/jcc.21054
openalex publication_date 2008/07/09 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01
Implementation of molecular dynamics (MD) calculations on novel architectures will vastly increase its power to calculate the physical properties of complex systems. Herein, we detail algorithmic advances developed to accelerate MD simulations on the Cell processor, a commodity processor found in PlayStation 3 (PS3). In particular, we discuss issues regarding memory access versus computation and the types of calculations which are best suited for streaming processors such as the Cell, focusing on implicit solvation models. We conclude with a comparison of improved performance on the PS3's Cell processor over more traditional processors.