: Presented is a paradigm of how a design concept can be converted into a system of production rules to generate designs. The rules are expressed by the means of shape grammar form...
Abstract: Molecular Dynamics (MD) is of central importance to computational chemistry and its myriad applications. Here we show that, at even a preliminary stage of development, MD...
Yongfeng Gu, Tom Van Court, Douglas DiSabello, Mar...
The Tensor Contraction Engine (TCE) is a domain-specific compiler for implementing complex tensor contraction expressions arising in quantum chemistry applications modeling elect...
Many problems in chemistry, robotics or molecular biology can be expressed as a Distance CSP4 . In this paper, we propose a specific methodology for tackling uncertainties in this...
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...