TheoretiK Consulting for Computational and Applied Physics

Offers theoretical/computational research in nanobiotechnology, atomic physics, plasma and particle material interfaces and molecular electronics, micro and nano fluidics.

 

We are applying multiscale theoretical methods, ranging from quantum mechanics (in fs and subnanometer-nanometer scale) and computational quantum chemistry, through the classical atomistic approach in molecular dynamics of nanofluids/nanomaterials , metalo-organic interfaces, DNA polymers and electrolytes (tens of ns, tens of nanometers), to continuum electrodynamics (Poisson-Planck-Nernst-Stokes) of liquid/solid media, ion transport, electro-osmosis, diffusion.

 





Processes at plasma - material interface, in the regime of interest for materials facing fusion plasma as well as plasma-mediated synthesis of nanoparticles. Particular focus has been the evolution of a collision cascade in the material upon slow impacts of ions, atoms and molecules of carbon, lithium, tungsten and mixed surfaces, changing morphology of the target material, and inducing various chemical reactions. We study chemical sputtering, reflection, sticking, penetration, retention, as well as nano-nucleation and growth of the nanostructures in function of the surface structure, state of a impact particle, of temperature and impact fluence.

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