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

  • [26/01] 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.
  • [25/12] LeMat-Synth was presented at NeurIPS 2024 AI4Mat! Congrats to the team of 20+ scientists and volunteers across 12 institutions who have been involved in this project.
  • [25/09] Our team won the Lila Science overall prize (top 3%) and second place of the MIT-wide site at the Global LLM Hackathon for Applications in Chemistry and Materials Science!
  • [25/08] I joined the Massachusetts Institute of Technology as a PhD student in Chemical Engineering and Computational Science and Engineering, an interdisciplinary program between the Department of Chemical Engineering and Schwarzmann College of Computing (CSE-ChemE)!
  • [25/06] Selected as one of the Lindau Spirit Fellowship awardees, I will be presenting my master’s thesis on automated structure elucidation of mass spectra using neural networks at the 74th Lindau Nobel Laureate Meeting in Chemistry! Thank you to the Study Foundation of the Austrian Academy of Sciences for further supporting my participation with a travel grant.