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Biomedical subjects

G Zérah

Publications and source records attributed to G Zérah.

6 recordsLinked to original sources
PubMed2006

Effect of intense laser irradiation on the lattice stability of semiconductors and metals.

The effect of intense ultrashort irradiation on interatomic forces, crystal stability, and possible melting transition of the underlying lattice is not completely elucidated. By using ab initio linear response to compute the phonon spectrum of gold, silicon, and aluminum, we found that silicon and gold behave in opposite ways when increasing radiation intensity: whereas a weakening of the silicon bond induces a lattice instability, gold undergoes a sharp increase of its melting temperature, while a significantly smaller effect is observed for aluminum for electronic temperatures up to 6 eV.

Journal Article↗
PubMed2002

Parallel-in-time molecular-dynamics simulations.

While there have been many progress in the field of multiscale simulations in the space domain, in particular, due to efficient parallelization techniques, much less is known in the way to perform similar approaches in the time domain. In this paper we show on two examples that, provided we can describe in a rough but still accurate way the system under consideration, it is indeed possible to parallelize molecular dynamics simulations in time by using the recently introduced pararealalgorithm. The technique is most useful for ab initio simulations.

Journal Article↗
PubMed2000

Multiscale recursion in dense hydrogen plasmas.

We present and assess a multiscale recursion method to calculate electronic density via the Green's function. The method lies within the framework of finite temperature density functional theory and uses a real space approach. It provides a satisfactory description of the first Brillouin zone without invoking k points. Unlike methods that explicitly calculate eigenstates, the computational workload decreases with temperature. Tests are performed on a system representing a hydrogen plasma with a local pseudopotential. Calculations are distributed on real space grids with different spacings using scaling properties of the recursion. The computational workload increases linearly with the size of the system and can be productively dispatched on an arbitrarily large number of processors.

Journal Article↗