For simulating physical and chemical processes on molecular level asynchronous cellular automata with probabilistic transition rules are widely used being sometimes referred to as ...
Progress in adapting molecular dynamics algorithms for systems with short-range interactions to utilize the features of modern supercomputers is described. Efficient utilization o...
Molecular Dynamics (MD) is of central importance to computational chemistry. Here we show that MD can be implemented efficiently on a COTS FPGA board, and that speedups from ¿½...