Category Archives: Chemistry

Installing BigDFT 1.5.2 with CUDA and OpenMPI support in Fedora 14 x64

BigDFT is DFT electronic structure calculation program that uses GPU acceleration. (http://inac.cea.fr/L_Sim/BigDFT/) Latest version: 1.5.2 Installation tested in Fedoea 14 x64 with NVidia GT470 video card. Installing prerequisites: gcc blas-devel lapack-devel openmpi (tested with 1.4.3) NVidia Driver (tested with) Need to disable Nueveu module, add xxxx to grub.conf CUDA Toolbox (tested with 3.2) Enviroment settings: [...]

Conductive polymers

I present here my literature seminar (as a requirement for PhD degree) on topic “Intrinsically Conductive Polymers”.  PowerPoint version: PDF version: