MOF co-catalyst allows selectivity of branched aldehydes of up to 90%

Heterogeneous catalysts are often preferred in industrial settings because of their robustness and lower operating costs, but homogenous catalysts still dominate when high selectivity is needed—finding superior heterogeneous catalysts has been a challenge. A recent collaboration between the Paul Scherrer Institute's experimental Syncat Group, led by Marco Ranocchiari, and EPFL’s Laboratory of Molecular Simulation, a computational group led by Berend Smit, has shown how micropores in metal-organic frameworks (MOFs) can enhance selectivity to levels that cannot be achieved with existing catalysts. Though the findings have significant potential in the production of aldehydes, the easy experimental protocol and the chemical and structural flexibility of MOFs means that the approach represents a powerful tool for designing selective catalytic heterogeneous processes in the fine chemical industry overall. A paper on the research has just been published in Nature Communications.

New artificial neural network model bests MaxEnt in inverse problem example

NCCR MARVEL researchers at EPFL’s Chair of Computational Condensed Matter Physics (C3MP) and colleagues have developed an artificial neural network (ANN) model that may serve as a basis for solving inverse problems. Their approach reaches the same level of accuracy as the now commonly used maximum entropy (MaxEnt) method for low-noise data, performs significantly better than this standard technique when the noise strength increases, and features a reduction in computational cost by orders of magnitude. The research has just been published in Physical Review Letters.

Anatole von Lilienfeld discusses machine learning, new journal in PhysicsWorld interview

Anatole von Lilienfeld, project leader of NCCR MARVEL's Incubator Project 2 and professor of physical chemistry at the University of Basel, was recently named editor-in-chief of a new journal called Machine Learning: Science and Technology. In an interview with PhysicsWorld, he spoke about the role that machine learning plays in science, the purpose of the new journal and how he thinks the field will develop.

MARVEL/CECAM lecture series videos now available on Materials Cloud

Video recordings of lectures held as part of the CECAM/MARVEL "Classics in molecular and materials modeling" and the Mary Ann Mansigh conversation series are now available online on Materials Cloud.

Psi-k conference

Psi-k 2022 is the 6th general conference for the worldwide Psi-k community. Typically held every 5 years, this event is the largest worldwide in first-principles simulations. With more than 1000 participants attending the past 2010 and 2015 editions, it promises to be the most exciting, defining event in the field, offering an intense but enjoyable atmosphere, in addition to a chance to explore the beautiful region around Lausanne and Lake Geneva.  

[CANCELED] — Ig Nobel Award Tour Show 2020

Due to event restrictions linked to the coronavirus, the Ig Nobel Award Tour Show 2020 at EPFL is canceled, which we greatly regret.

[CANCELED] — MARVEL Junior Seminar — March 2020

Due to event restrictions linked to the coronavirus, the March Junior Seminar is canceled, which we greatly regret.

International Women’s Day — Shoot for the Moon

EPFL Alumni and EPFL's Equal Opportunities Office invite you on the occasion of International Women’s Day, which will officially take place a few days later, to celebrate women of science and set off with them to conquer space on Thursday 5 March at the Forum Rolex. MARVEL will be present.