• About this site

    This web site contains mainly information about my research experience, interests, and publications. Besides you can find something about real life...
  • About me

    I am a researcher in theoretical condensed matter physics. My primary research interest is the development and improvement of electronic structure methods.
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  • Research

    My research concerns the development and the application of electronic structure methods within chemistry and condensed matter physics.

    :: Development of electronic structure methods

    With the development of electronic structure methods I aim to provide accurate and efficient tools to calculate the properties of real materials from first principles, i.e., from quantum mechanical laws without relying on external parameters. In particular I focus on:

    • improving the reliability and accuracy of density functional based methods
    • extending the applicability of many-body perturbation theory to larger and more complex systems through fast algorithms

    Recent relevant publications:
    Exciton-plasmon states in nanoscale materials: breakdown of the Tamm-Dancoff approximation
    Effect of spatial nonlocality on the density functional band gap

    :: Applications of electronic structure methods

    Currently I am involved in the following projects implying the application of electronic structure methods:

    • electronic structure of high­-k materials within many­-body perturbation theory
    • dissociation mechanism in hybrid organic­metallic systems by (time­-dependent) density functional theory

    Recent relevant publications:
    Quasiparticle calculations of the electronic properties of ZrO2 and HfO2 polymorphs and their interface with Si

    :: Code development

    My research on the development of electronic structure method implies the implementation of the proposed methods, approximations and algorithms into a scientific code. At present, I am a developer of Yambo, a scientific software package for many-body calculations in molecular and solid state physics. During my Ph.D. I have contributed to ADF, a quantum chemistry software package based on Density Functional Theory.

    Recent relevant publications:
    Yambo: An ab initio tool for excited state calculations