Work Experience
- Senior Researcher, Microsoft Research Amsterdam, since 2022
Deep Learning for Molecular Modelling
- Research Associate in Machine Learning, University of Cambridge, 2020–2022
Development of reinforcement learning approaches for molecular design in 3D
- Postdoctoral Researcher, University of Cambridge, 2018–2020
Design of Bayesian deep learning models to accelerate the discovery of novel materials
Advisor: José Miguel Hernández-Lobato
- Machine Learning Engineer, Semiconductor Research Corporation, 2018–2020
Multi-Objective Bayesian optimization method development for design space exploration of integrated circuits
Education
- Ph.D. Theoretical Chemistry, ETH Zurich, 2018
Thesis: Error-Controlled Quantum Chemical Exploration of Reaction Networks
Advisor: Markus Reiher
- MSc. Interdisciplinary Sciences (with distinction), ETH Zurich, 2015
Focus: Chemistry and Physics
Thesis: Bridging the Gap Between Theory and Experiment Using Gaussian Processes, Harvard University.
- BSc. Interdisciplinary Sciences, ETH Zurich, 2013
Focus: Chemistry.
Awards and Fellowships
- Computational Resources, 100,000 GPU hours, EPSRC, 2021–2022
- Early Postdoc.Mobility fellowship of the Swiss National Science Foundation, 2018–2020
- Ph.D. Fellowship of the Fonds der Chemischen Industrie, 2015–2017
- Best Poster Presentation, Swiss Chemical Society Meeting, Fall 2016
- Master’s degree with distinction, 2015
Talks
- ACS Fall Meeting, Atlanta (virtual), August 2021
- Fritz-Haber-Institut, Berlin (virtual), June 2021
- IBM Research, Zurich (virtual), January 2021
- Bjørk Hammer’s Research Group, Aarhus (virtual), December 2020
- Machine Learning and AI in (Bio)chemical Engineering, Cambridge, July 2020
- Deep structures – Joint workshop by Alan Turing Institute and Finnish Center for Artificial Intelligence, Helsinki, December 2019
- Machine Learning and AI in (Bio)chemical Engineering, Cambridge, July 2019
- Microsoft Research Cambridge AI+Pizza, Cambridge, February 2019
- 53rd Symposium on Theoretical Chemistry, Basel, August 2017
- Competence Center for Computational Chemistry Meeting, IBM Research, January 2017
Skills
- Mentoring: Supervised two master’s students during their research projects
- Teaching: Teaching assistant for several lectures including general chemistry, inorganic chemistry, and computer science, since 2013
- Programming languages: Python and C++
- Databases: MongoDB, PostgreSQL
- Administration of high performance computing facility (2015–2018)
Journal and Conference Reviewing
- AISTATS 2020, 2021
- AAAI 2020
- ICLR 2022
- NeurIPS 2021
- NeurIPS “ML4Molecules workshop” 2020, 2021
- Chemical Science 2020
- Machine Learning: Science and Technology 2021