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.

 

DOWNLOAD AGENDA

 

 

Book of Abstracts

 

 

BOOK OF ABSTRACTS (Full Event)

 

BOOK OF ABSTRACTS (Workshop Only)

 

Registration

 

 

Registration is closed.

 

 

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