Mauro Boero

Mauro Boero is a Research Director (DR1) at CNRS and Visiting Full Professor at Nagoya University's Institute for Materials and Systems for Sustainability (IMaSS). He leads the MATISEN Team (Materials for Information Technology, Sensors, and Energy Conversion) at the ICube laboratory (UMR 7357) in Strasbourg. His career includes post-doctoral positions at EPFL, IBM Zurich, and the Max Planck Institute for Solid State Research, followed by tenured roles in Japan (University of Tsukuba, JAMSTEC) and CNRS directorships.

Research Focus: Specializes in atomic-scale modeling using ab initio simulations and hybrid QM/MM methods. Develops the open-source software CPMD for computational chemistry. Key areas include catalytic reactions, energy conversion materials, and biomolecular systems. His work bridges computational materials science with applications in sensors, renewable energy, and environmental remediation.

Publications Trends: Recent work emphasizes defect analysis in semiconductor interfaces (AlGaN/AlN), carbon nanotube interactions with metal clusters, and electrolyte dynamics for energy storage. Also explores prebiotic homochirality mechanisms and environmental heavy metal removal via molecular dynamics.

Affiliations: Scientific Director of Strasbourg's Mesocenter for High Performance Computing. Collaborates internationally through IMaSS and the Earth Simulator Center.