Dr. Christina Ertural
Full Stack Quantum Chemist, Developer, Postdoctoral researcher, MRSC.
Work Experiences
Software and Python Workflow Developer
Bundesanstalt für Materialforschung und -prüfung
- Developed a machine learning interatomic potetnial automation Python workflow
- Materials Project, atomate2
- other things
Education
Doctoral degree (Dr. rer. nat.) in Chemistry
RWTH Aachen University
Software Development- Implemented several new features into LOBSTER (cohp.de)
- other things
Master degree in Chemistry
RWTH Aachen University
- Programming classes in &
- other things
Bachelor degree in Chemistry
RWTH Aachen University
- other things
Further Experience
Software and Coding Skills
- Languages: C++ , Python , bash (Advanced)
- Ab initio software: LOBSTER (former developer), VASP (Advanced), Quantum ESPRESSO, ABINIT, Gaussian, Molpro (Basic)
- Graphic tools: Adobe Illustrator, CorelDRAW (Advanced)
Workshops
- LOBSTER summer school