My research focuses on combining models from different scales in order to efficiently study, control and propose advantageous operating windows of the CVD process of concern. I combine macro-scale models, i.e. models based on partial differential equations (transport phenomena - continuum regime) with ballistic transport and Kinetic Monte Carlo models, in the micro- and nano- scales respectively. For a brief outline of our work please check pages 5-9 of ECCOMAS Newsletter .

I combine different computational methods, such as Recursive Projection Method (RPM) and arc-length continuation in order to enable commercial software to perform certain non-linear analysis tasks. The computational tools developed are independent of the underlying physical/chemical system. I have used them to efficiently study non-linear phenomena in CVD processes; from buoyancy induced phenomena to symmetry breaking and periodic (in time) flows. This work was partially funded by OSRAM Opto semiconductors during my post doc years.

Polymer properties are hard to compute with conventional molecular methods (such as molecular dynamics) especially when the architecture of the polymer chains is complex or the size of the system is too big. In these cases the relaxation times are too large, so the simulations become too expensive or even impossible. In the R&D department of Scienomics SARL, I have designed and developed Chameleon. Chameleon implements the so-called connectivity altering Monte Carlo moves which can efficiently used for computing the properties of large, realistic, complex polymer systems.

Speed does count! For that, I use HPC tools and methodologies - both CPU (MPI, pThreads) and GPU (CUDA, openCL) based - during software development to exploit modern HPC capabilities and to efficiently accelerate my computations. From a more practical aspect, I have designed and currently co-administrate Andromeda, a hybrid CPU/GPU cluster.

Besides Chameleon, I have designed and currently developing Apothesis, an open source software based on the kinetic Monte Carlo method. Apothesis is designed for the analysis of the surface phenomena encounter in CVD and atomic layer deposition (ALD) processes. It is still in development and only the core of the software is uploaded in github. I develop in C++, Java and python. For user interfaces (UI) I use Qt and zk framework.