Former group members

• Pavel Papež
  visiting PhD student (Erasmus, BUT Brno, Czechia), 05/2024–07/2024
  project: Magnetic compositionally complex alloys
• Maximilian Ziegler
  MSc student, 02/2022–02/2024
  project: Mechanical and electronic properties of monolayer TMDCs: A DFT study
  BSc student, 05/2021–11/2021
  project: Graphene
• Donglan Zhang
  visiting PhD student (CSC Scholar), 02/2023–02/2024
  project: Effect of doping and interface engineering on the conductivity mechanism of RRAM-based on HfO₂
• Luiz Fernando Vierra-Correa
  visiting BSc student, 07/2023–01/2024
  project: Implementing Monte Carlo simulations for diffusion
• Antonio Vukusic
  MSc student, 2021–12/2023
  project: Influence of vacancies on the N K-edge ELNES response of fcc Tantalum nitrides–Ab initio study
• Ganesh Kumar Nayak
  PhD student, 06/2019–11/2023
  project: Multi-method Atomistic Study of Protective Nitride Coatings: from Crystalline to Amorphous Materials
  
• Dominik Gehginger (Né Nöger)
  PhD student, 2019–09/2023
  project: Atomistic approaches for investigating planar defects in compositionally complex alloys
  MSc student, 2017–2018
  project: Interaction between hydrogen molecules and carbon nanostructures: A DFT study
  BSc student, 2016–2017
  project: Optimised structural models of solid solutions for tensorial properties
  
• Keegan Zetterberg
  AMASE MSc student, 2022–09/2023
  project: The effects of grain size on the elastic response of FeCrMnNiCo high entropy alloy: a molecular dynamics study
• Ulrich Pototschnig
  MSc student, 04/2021–03/2023
  project: Deriving a Model for Catalytic Methane Pyrolysis: A DFT Study
  BSc student, 2020–03/2021
  project: Describing random alloys through triplets: An extension of the Warren-Cowley short-range order parameter
• Anna Paulik
  MSc student, 2021–03/2023
  project: Ab initio discovery of novel hydride phases in NiTi shape memory alloys
• Ondřej Fikar
  OeAD AKTION scholar, 09–12/2022
  (secondment from BUT Brno, Czech Republic)
  project: Ab initio study of phase stability in solid solutions
• Martin Baumer
  BSc student, 2021–2022
  project: Assessment of accuracy of phase diagram prediction in Fe-C-based systems using various thermodynamic databases
• Lukas Hatzenbichler
  MSc student, 02/2021–09/2022
  project: Prediciting Phase Stability of TiAl-based High Entropy Alloys from First-Principles
  BSc student, 01/2020–01/2021
  project: Stacking Faults in Transition Metal Nitrides
  student worker, 2015–2019
• Celine Halkali
  MSc student, 05/2021–09/2022
  project: Development of a semi-automated molecular dynamics workflow for testing interatomic potentials against ab-initio data
• Lukas Löfler
  PhD student, 11/2017–06/2022
  project: Defects and their influence on mechanical properties in nitrides: an atomistic study
• Neda Abdoshahi
  PostDoc, 10/2021–12/2021
  PhD student, 06/2017–09/2021
  project: Ab initio study of martensitic and ordering Transformations in intermetallic TiAl-alloys
• Tobias Jechtl
  MSc student, 07/2020–06/2021
  project: Assessment of Various DFT-based Methods for Predicting Temperature Dependence of Elastic Constants
• Jakob Becvar
  BSc student, 06/2020–06/2021
  project: Impact of Control Parameters on Molecular Dynamics Simulations of Mechanical Tests
• Fangyu Guo
  PhD student (guest), 10/2018–10/2019
  project: Ab initio study of oxidation behaviour of Ti-Al-N coatings
• Manuel Kisilak
  BSc student, 02/2018–06/2019
  thesis: "Modelling of bulk diffusion in β_o-TiAl"
• Nikola Koutná
  MSc student, 07/2015–06/2016
  thesis: "Impact of point defects on stability and mechanical properties of nitrides and oxides"
• Klara Preininger
  FWF project assistant, –
  project: "Ab initio assessment of the binary Nb-Al system"
• Fabian Niklas
  BSc student, –04/2016
  thesis: "Konstruktion von Elementarzellen basierend auf verschiedenen Gitterebenen ausgewählter Kristallstrukturen und die Simulation deren Oberflächenenergie"
• Phillip Dumitraskewitz
  MSc student, –05/2015
  thesis: "Planar faults in γ-TiA: lAn atomistic study"
• Filipe Hauser
  BSc student, –04/2015
  thesis: "A theoretical study on the phase stability and elastic constants of Al-Nb structures"
• Rajeev Reddy
  summer internship, 05/2014–08/2014
  project: "Preferential site occupancy of alloying elements in TiAl-based phases"
• Pavel Ondračka
  Erasmus scholar, 09/2013–07/2014
  project: "Ab initio study of phase stability and optical properties of transition metal oxides"
• André Monteiro
  Leonardo Da Vinci scholar, /20–/
  project: "Molecular dynamics studies of the mechanics of filled carbon nanotubes"