Tillmann Kubis

Tillmann Kubis's Biography

email: tkubis -at- purdue.edu

Take a look at my biography.

Take a look at my publications.

You can find my dissertation here.

Most of my current work is dedicated to NEMO5.

This is a general purpose highly parallelized simulator for Boson and Fermion transport and bandstructure on multimillion atom devices.

So far this work includes the following topics


  • General tight-binding Hamilton constructor (arbitrary number of basis orbitals, arbitrary range of two-center interaction)

  • General surface passivator (arbitrary geometries, crystal symmetries and orientations)

  • General electronic strain Hamiltonian for tight-binding representations

  • General Schroedinger/Poisson simulator (in close cooperation with M. Povolotskyi and S. Steiger)

  • Multi-purpose NEGF-solver (for Bosons and Fermions in arbitrary - stationary and nonstationary - representations, including incoherent scattering)

  • NEGF-compatible incoherent scattering of electrons on phonons, photons, impurities, defects, alloy and roughness disorder, corrugation, etc.

  • Generalizations of the recursive Green's function method supporting nonlocal scattering (advising PhD students J. Charles, P. Sarangapani, and Y. Chen)

  • Generalization of Buettiker probe model to arbitrary dimensions, in atomistic models, in recursive algorithms, for electrons and phonons and mutual energy transfer during scattering (advising PhD students Y. Chen, K. Miao and J. Charles)

  • Quantum computation with 2-particle Green's functions in atomistic device simulations (advising PhD student F. Severgnini)

  • Augmentation of all atomistic NEMO5 features to maximally localized Wannier functions (including incoherent scattering)

  • Efficient recursive surface Green's function solver for completely arbitrary leads

  • General low rank approximation in arbitrary representations (e.g. mode space in atomistic tight binding, advising PhD student D. Lemus)

  • Realistic device surface treatment in atomistic tight-binding

  • Development of efficient near-equilibrium electron and hole transport model for performance predictions of light emitting diodes (advising PhD student J. Geng)

  • NEMO5-High performance implementation and support of heterogeneous hardware (advising PhD student X. Guo)

  • Uncertainty quantification of observables in NEGF (explicit vs. implicit treatment, advising PhD student J. Charles)

  • Application of NEMO5 on charge and heat transport in 2D materials (transition metal dichalcogenides, phosphorene, etc., advising PhD students K. Wang and D. Valencia)

  • Expansion of all NEMO5 quantum transport models to aquaeous solutions

  • and more to come...
  • To some minor extend, I continue my work on terahertz quantum cascade lasers (THz-QCLs) which I originally started in the group of Prof. Vogl (TU-Munich, Germany)

    I have developed a novel THz-QCL design which shows promising laser performance

    My work on THz-QCLs includes cooperations with experimental and theoretical groups of TU-Vienna (Austria), TU-Munich (Germany), Nanyang Technology Univ. Singapore, and Univ. Tokyo (Japan) as well as with Hamamatsu Optics KK (Japan).

    My work on NEMO5 includes collaborations with groups at Purdue University (Materials, Mechanical, Industrial and Electrical Engineering, Physics and Chemistry Department).