S.E.
SABRINA
EPPENSTEINER

I model how molecules react at a catalyst — atom by atom, in energies — and I know how to make the result readable.

Portrait of Sabrina Eppensteiner
innsbruck · 2026

positionMaster's student in physics, University of Innsbruck

fieldComputational quantum chemistry — DFT, catalysis, electron-microscopy simulation

alsoFive years of formal training in graphic design and visual communication

nextDoctorate

What I compute

Density functional theory: finding out what a molecule does at a catalyst when the experiment can't see it.

Catalytic mechanisms of indium-oxide clusters for methanol synthesis

bachelor thesis · university of innsbruck · 2026

Turning captured CO2 back into methanol needs a catalyst that can take apart a very stable molecule. Indium oxide does it — but the mechanism happens too fast and too small to watch, so it has to be computed.

I ran DFT calculations on In2O3 clusters to map where CO2 and H2 bind, which bonds break first, and what each step costs in energy. Those barriers are what decide whether a catalyst is useful or merely interesting.

Alongside the degree I took extra courses in physical chemistry at the Institute of Chemistry. The master's continues in this direction, and a doctorate is where I want it to lead.

In In O O O C
indium oxygen carbon hydrogen

Where I've worked

jul – sep 2026

VDSP summer internship

University of Vienna

Worked on abTEM, the open-source package for simulating electron microscopy images, implementing VASP as a source of electrostatic potentials. Benchmarked the pipeline on hBN, SrTiO3 and MoS2 — a layered 2D material, a perovskite and a transition-metal dichalcogenide, chosen because they scatter very differently.

jul – sep 2024

Energy Solutions internship

Innio Jenbacher

Analysed and documented software processes across engineering and product development, so steps people were running informally were written down and could be reviewed.

jul – aug 2023

Ion and Plasma Physics internship

University of Innsbruck

Hands-on work in an experimental group: building up measurements and seeing how physical concepts survive contact with real apparatus.

since jan 2020

Blood donation service

Austrian Red Cross

Maintaining donor databases and talking to first-time donors — six years of keeping records exact and explaining a procedure to people who are nervous about it.

volunteer

Campus Tirol Motorsport

Formula Student team, Innsbruck

Built aerodynamic components for the team's car — fluid dynamics as something you laminate, mount, and then watch get tested at speed.

weekly

Fitness instructor for seniors

Strength classes

Leading a weekly strength class, which is mostly an exercise in explaining one thing clearly and adapting it to whoever is in the room that day.

What I use

Two toolsets that rarely turn up on the same CV, which is rather the point.

Electronic structure

  • Gaussian
  • VASP
  • Chemcraft
  • Molden
  • VESTA

Data and code

  • Python analysis, plots
  • MATLAB
  • Excel
  • Scientific writing

Design

  • Adobe Creative Suite
  • Technical drawing
  • Figures and posters
  • Visual communication

Languages

  • German native
  • English proficient

What I've built

Precision current driver for a diode laser

A constant-current circuit designed in LTspice and soldered by hand, built to run a 450nm laser diode without letting it destroy itself.

View the project →