High-tech businesses form a crucial part of entrepreneurial activity - in some ways presenting very typical examples of entrepreneurship, yet in some ways representing quite different challenges. The uncertainty in innovation and advanced technology makes it difficult to use conventional...

We have introduced a new technique for constant-pressure molecular dynamics by combining the idea behind the Parrinello-Rahman scheme and the method by Iannuzzi, Laio and Parrinello [Phys. Rev. Lett. <Emphasis Type="Bold">90, 238302 (2003)], recently devised to deal with rare events. The new scheme is suitably...</emphasis>

The electron-phonon interaction in Li-doped carbon clathrates hex-LiC<Subscript>40</Subscript> and hex-Li<Subscript>2</Subscript>C<Subscript>40</Subscript> has been investigated from first principles. Although the characteristic phonon frequency and electron-phonon interaction are large, the electronic density of states is relatively low which finally gives an...</subscript></subscript></subscript>

We present the ab initio phonon dispersion relations of <InlineEquation ID="Equ2"> <EquationSource Format="TEX">$\alpha$</EquationSource> </InlineEquation>-Ga. The calculations are carried out within density functional perturbation theory by using either norm-conserving pseudopotential and 4s and 4p electrons in the valence or ultrasoft pseudopotential and 3d electrons in the...</equationsource></inlineequation>

The phonon dispersion relations and IR spectrum of a C<Subscript>20</Subscript>-based solid recently identified experimentally [Iqbal et al. , Eur. Phys. J. B <Emphasis Type="Bold">31, 509 (2003)] have been computed by density functional perturbation theory. Other competitive structures made by assembling C<Subscript>20</Subscript> clusters have been considered...</subscript></emphasis></subscript>