MAX school: Ab-initio Many-Body Methods and Simulations with the Yambo Code

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Daniele Varsano
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MAX school: Ab-initio Many-Body Methods and Simulations with the Yambo Code

Post by Daniele Varsano » Thu Feb 17, 2022 9:32 am

The school will take place from April 4th to April 8th, 2022 at the International Center for Theoretical Physics (ICTP), Trieste. The school offers the possibility to participate in person and remotely.

The Computational School on Ab-initio Many-body Methods and Simulations with the Yambo Code will introduce many-body perturbation theory (MBPT) approaches and specifically to first-principles excited-state simulations using the MaX flagship code YAMBO.

The target participants are graduate students, postdocs, and researchers who are interested in learning or in improving their knowledge and skills to calculate electronic and optical properties of materials, beyond the well-known DFT limitations and using an efficient, highly parallelized and accurate many-body computational tool.

Both theoretical and technical lectures will be offered as well as dedicated hands-on sessions where students will learn how to use the code for materials of current research interest and how to optimize its use in a parallel environment. Several post-processing tools for the analysis of the results will be also introduced and practically applied.
General topics will include self-energy and quasiparticles concepts, the GW approximation, and the Bethe-Salpeter equation, all placed in the context of and linked with experimental measurements (photoemission, absorption, photoluminescence).

At variance with previous editions, this school will present some advanced lectures such as new algorithms developed to deal with electron-phonon interactions, real time evolution of equations of motion, time dependent polarization in terms of the Berry phase, and computation of non-linear optical properties.

The specific usage in massively parallel environments equipped with modern accelerated video cards (GPU’s) will be introduced.

Participants are required to have a pre-existing background in DFT methods, including experience in running first principles simulations.

Due to the pandemic period the school is designed to allow a limited number of participants in person and offers the possibility to follow the entire school (including hands-on sessions) remotely.

In-person participation: As regards the COVID-19 policy, we advise to follow the updated rules available on the ICTP page Access Guidelines for Visitors. In particular, applicants should check whether they have to undergo a quarantine period at the time of arrival. In this case, unfortunately, it will not be possible to participate in presence for logistical reasons.

For more details and applications please follow these links: ... yambo-code
Female scientists are encouraged to apply.

A limited number of grants are available to support the attendance of selected participants, with priority given to participants from developing countries. There is no registration fee
Thanks to the generous contribution of the MaX CoE, accommodation in single rooms is provided at the ICTP Guest Houses depending on the availability.

For participation in person: 8th March 2022
For participation online: 20th March 2022

The organisers:

Daniele Varsano (CNR-NANO), Maurizia Palummo (University of Rome Tor Vergata), Davide Sangalli (CNR-ISM), Andrea Marini (CNR-ISM). Local Organiser: Nicola Seriani (ICTP)
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale

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