Please find below our latest newsletter, with highlights and news linked to the MARVEL community.
This month, read about a theoretical breakthrough in thermoelectric material to better harness waste heat for sustainable energy. Learn too about a new computational framework that helps screen large numbers of Covalent Organic Frameworks (COFs) in a fast and efficient way, to pre-select the best candidates for specific photocatalytic applications, such as water splitting. You can also read about the Materials Cloud database greatly expanding its collection of 2D materials.
A feature story discusses whether quantum computers can be the key to more natural and efficient modelling of materials, introducing the MARVEL project "Quantum Simulations — Leveraging Quantum Computers and Algorithms for Materials Discovery" and its new PI Prof. Zoë Holmes.
In other news this month, congratulations to Ana Akrap for winning the Ludwig-Genzel-Prize 2023 for her contributions to the physics of quantum materials obtained via infrared spectroscopy!
Mark your calendars for a new CECAM-MARVEL "Classics in molecular and materials modelling" event focusing on TDDFT and featuring Eberhard Gross and Angel Rubio (Sep. 28). Note too the next MARVEL Junior Seminar on Sep. 21.