Laboratory for Materials Simulations (LMS)
The Laboratory for Materials Simulations was created in July 2021 within the new Division for Scientific Computing, Theory and Data (SCD). The Laboratory currently hosts two groups, a newly created Materials Software and Data group, led by Dr. Giovanni Pizzi, and the Multiscale Materials Modelling group, led by Dr. Matthias Krack. A third group will follow this year.
Upcoming LMS events
Latest news from LMS
Consortium led by LMS wins funding to establish ORD practices
A consortium led by Dr. Giovanni Pizzi, Group leader of the “Materials Software and Data” group in the Laboratory for Materials Simulations, has won funding of almost CHF1.3 million for a three-year project dubbed PREMISE: “Open and reproducible materials science research.”
MARVEL team wins inaugural PRACE HPC Excellence award
The first ever PRACE (Partnership for Advanced Computing in Europe) HPC Excellence Award has been awarded to a team led by Professor Nicola Marzari, head of Theory and Simulation of Materials at EPFL's School of Engineering and Materials Simulations at PSI, and director of NCCR MARVEL. The € 20,000 award is given to “an outstanding individual or team for ground-breaking research that leads to significant advances in any research field through the usage of high-performance computing”, and recognizes the team’s effort in the discovery and characterization of novel two-dimensional materials.
Latest Scientific Highlights
Electronic-structure methods for materials design
The accuracy and efficiency of electronic-structure methods to understand, predict and design the properties of materials has driven a new paradigm in research. Simulations can greatly accelerate the identification, characterization and optimization of materials, with this acceleration driven by continuous progress in theory, algorithms and hardware, and by adaptation of concepts and tools from computer science.