Why do just one experiment at a time when you can do ten?

Synthetic fuels and chemicals from CO₂: Ten experiments in parallel

28-Jun-2024 - Empa researchers have developed an automated system, which allows them to research catalysts, electrodes, and reaction conditions for CO₂ electrolysis up to ten times faster. The system is complemented by an open-source software for data analysis. If you mix fossil fuel with a little oxygen and ...

Machine learning takes materials modeling into new era

Deep learning approach enables accurate electronic structure calculations at large scales

11-Jul-2023 - The arrangement of electrons in matter, known as the electronic structure, plays a crucial role in fundamental but also applied research such as drug design and energy storage. However, the lack of a simulation technique that offers both high fidelity and scalability across different time and ...

How to play Catalysis Tetris?

29-Jul-2022 - The way molecules involved in a chemical reaction bond to the surface of a catalyst is key to improving catalyst performance. Researchers at the Fritz Haber Institute and Denmark's Aarhus University have now developed a machine learning algorithm that can predict this property for complex ...

How to find hidden treasures in chemistry with software

Digital Tools for Observing Molecular Gymnastics

18-Aug-2021 - Haem proteins come in many varieties. They are true all-rounders and provide an extraordinary number of different functions in almost every area of living nature, especially in the biological energy balance. The centre in all these different proteins is always the same molecule. But how can a ...

Chemical synthesis with artificial intelligence

03-Apr-2018 - The board game Go was long considered to be a bastion reserved for human players due to its complexity. Nowadays, however, the world’s best players no longer have any chance of winning against the “AlphaGo” software. Researchers at the University of Münster have now demonstrated that the recipe ...

Reproducibility does not come easily

Independently developed codes – equivalent results

11-Apr-2016 - Scientists from IFW Dresden teamed up with colleagues from over 30 universities and institutes to investigate to what extent quantum simulations of material properties agree when they are performed with different software, independently coded. Thanks to an online collaboration, they successfully ...

FIZ CHEMIE to announce this year’s Winners of "FIZ CHEMIE - CINF Scholarship for Scientific Excellence"

29-Aug-2011 - At the Fall 2011 ACS National Meeting in Denver, Colorado, USA, Dr Felix Rudolphi, Barun Bhhatarai, PhD, and Karen L. Salazar, PhD were announced the winners of this year´s "CINF-FIZ Scholarship for Scientific Excellence". The scholarship program of the Division of Chemical Information (CINF) of ...

Software for the discovery of new crystal structures

16-May-2011 - A new software called QED (Quantitative Electron Diffraction), which has been licensed by Max Planck Innovation, has now been released by HREM Research Inc., a Japan based company, which is developing products and services in the field of High-Resolution Electron Microscopy. QED allows ...