26/06/2025
Past Event

Materials Science from First Principles: Materials Scientist Toolbox

The Materials Science Work Package team of the HANAMI project is pleased to announce a five-day workshop to be held in the Pierre and Marie Curie campus of Sorbonne University (Paris), introducing the main computational tools widely used in materials science, along with their latest developments and applications.   An opportunity to know more about density functional theory, GW, quantum Monte Carlo, and linear algebra. Recent developments and applications.   The first three days will focus on introducing three major codes developed within the HANAMI consortium:   SIESTA – density functional theory   Yambo – many-body perturbation theory, GW/BSE   TurboRVB – quantum Monte Carlo simulations   These sessions will also include an introduction to supporting dense linear algebra libraries, their role and importance in computer simulations. Introductory lectures will be followed by practice-based sessions.   The last two days, we will feature presentations by leading experts on recent advances and applications of these methods, covering topics such as:   Computational modelling of materials and interfaces for sustainable energy generation and storage Advances on numerical linear algebra with special focus on dense, distributed and accelerated eigensolvers Nuclear quantum dynamics and anharmonic vibrational spectra calculations Large-scale DFT calculations Quasi-particle self-consistent GW methods and applications Scalable quantum Monte Carlo techniques   Confirmed Japanese Speakers   Tomomi Shimazaki, Yokohama City University, Japan   Takao Kotani, Tottori University, Japan   Toshiyuki Imamura, Large-scale Parallel Numerical Computing Technology Research Team, Riken-CCS, Kobe, Japan   Ayako Nakata, NIMS, Research Centre for Materials Nanoarchitectonics (MANA), Tsukuba, Japan   Azusa Murakoa, Japan Women’s University, Tokyo, Japan   Terumasa Tadano, NIMS, Tsukuba, Japan   Agenda     The agenda is already available, but can still be updated.       Book of Abstracts         Registration     Registration is closed.     Sponsors