Laboratory of Computational Science and Modeling COSMO
The macroscopic behaviour of materials is determined by the chemical and physical interactions between atoms, averaged over thermal and quantum mechanical fluctuations. At the laboratory of Computational Science and Modelling we simulate matter at the atomic scale, to be able to predict and optimise the properties of materials and molecules starting from fundamental physical principles.
To do so, we need to develop computer simulation methods that are both efficient and accurate, relying on an interdisciplinary expertise that combines understanding of statistical physics, quantum chemistry and materials engineering, with the mathematical and computational tools of data science and machine learning. We then apply these techniques to address materials science problems that are relevant for pressing societal issues – from the metallurgy of lightweight alloys for sustainable transportation, to the determination of the structure and behaviour of hydrogen-bonded materials such as pharmaceutical compounds and bio-inspired polymers.
You can learn more on what we do, and what methods we use, on the Research page, or on the News Archive. If you are interested in joining us, have a look at the Jobs page for open positions and application instructions.
|Head of the laboratory:|
Prof. Michele Ceriotti
tel: +41 (0)21 69 32939
Ms. Isabel Nzazi
tel: +41 (0)21 69 32925
|EPFL STI IMX COSMO|
MXG 338 (Bâtiment MXG)
Best Poster Award for Joe Abbott
Congratulations to Joe Abbott from COSMO Lab for the best poster award at the Machine-Learning Interatomic Potentials School (MLIP-2023) that took place at Aalto University from 6th to 10th November!
CECAM – Psi-K School on Machine Learning Interatomic Potentials
2023 Machine Learning Interatomic Potential School for Young & Early Career Researchers From 6 to 10 November, 2023, Aalto University, Finland.