Malte Franke
Incoming CS PhD student at ETH Zürich
I’m an incoming PhD student in Machine Learning at ETH Zürich advised by Andreas Krause and Kjell Jorner. I will also be affiliated with the European Laboratory for Learning and Intelligent Systems (ELLIS) as a PhD fellow, co-advised by José Miguel Hernández-Lobato at the University of Cambridge. In my research, I will develop new generative machine learning methods for chemical discovery.
Prior to joining ETH Zürich, I have interned with Dunia working on ML for integrated electrocatalyst discovery. During my studies at RWTH Aachen, I have worked with Alexander Mitsos on numerical optimization for chemical inverse design. I have also done an ERASMUS stay at EPFL, working with Clemence Corminboeuf and Philippe Schwaller on reaction prediction. In my Master’s thesis at MIT with Rafael Gómez-Bombarelli I developed a flow matching model for multi-molecule docking in porous materials.
Reach out if you are interested in working with me!
news
| Apr 01, 2025 | I have started my internship at Dunia in Berlin! |
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| Mar 01, 2025 | I have successfully defended my Master’s thesis at MIT! |
selected publications
- Deterministic global optimization for sample-efficient molecular design with generative machine learningIn AI for Accelerated Materials Design-NeurIPS, 2024
- MatDock: Multi-molecule docking in porous materials with flow matchingIn AI for Accelerated Materials Design-ICLR, 2025