Magdalena Lederbauer
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Magdalena Lederbauer

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I am a Ph.D. student at MIT in Chemical Engineering and Computing (ChemE-CSE). My research focuses on applying machine learning and computational methods to solve problems in chemistry, particularly structure elucidation and catalysis. I graduated from ETH Zurich with an MSc in Chemistry in 2025, focusing on machine learning, spectroscopy, and catalysis, and worked as a visiting scientist at the startup Entalpic.

Academic CV

For any inquiries, please do not hesitate to get in touch via social media or e-mail.

What’s New

  • [26/10] ICICLE is published in Analytical Chemistry, for which I was awarded the CIC Award for Young Scientists by the German Society of Chemists (GDCh)!
  • [26/08] LeMat-Synth v2.0 is released, for which I was awarded the CINF Award for Scientific Excellence awarded by the American Chemical Society! Check out the writeup here and the dataset here. Congrats to the team of 25+ scientists and volunteers across 12+ institutions who have been involved in this project.
  • [26/07] I was awarded the Dr. Maria Schaumayer Foundation prize!
  • [26/01] I was selected as one of three awardees of the Entalpic Research Fellowship! Looking forward to working with the team at Entalpic and LeMaterial to develop machine learning models for the automated development of materials to decarbonize industrial chemistry.
  • [25/12] My master’s thesis was awarded the ETH Medal (top 2.5% of theses at ETH Zurich) and the S.&N. Blank Prize for an outstanding master’s thesis in organic chemistry at ETH Zurich! I was also awarded the Willi-Studer Prize for achieving the best GPA in my master’s program.