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CNR is the main public research institution in Italy, gathering 110 institutes distributed in the entire country. Three of them participate in MAX: CNR-NANO (Modena) with the “Theory and Simulation” group led by Elisa Molinari and Andrea Ferretti, CNR-ISM (Rome) with the “Theoretical Spectroscopy” group of Andrea Marini, and CNR-IOM (Trieste) with the “Democritos” group of Paolo Giannozzi.
The CNR team includes main developers of Quantum ESPRESSO and YAMBO. The research background is mostly on the development of novel theoretical and computational tools for ground and excited states, and applications to structural, electronic and spectroscopic properties of materials. Applications include e.g. low-dimensional systems; surfaces, interfaces and hybrid systems; materials for ICT and energy applications.
Tasks in MAX
CNR contribution is centered on codes, mainly YAMBO and Quantum ESPRESSO, and materials science applications. CNR also contributes to codesign activities. CNR-NANO is the project coordinator of MAX; it contributes to dissemination and communication, and leads the training and management activities.