Today’s most popular method for calculating the electronic structures of atoms, molecules, and solids is based on first principles density functional theory (DFT) calculation. This method is based on the solution of the Schrödinger equation for the electrons, without any empirical inputs, and thus it allows us for accurately describing the mechanical, physical, and chemical properties of materials. Quantum ESPRESSO (QE) is currently recognized to be one of the most widely used packages for the DFT calculations, and it has been under continuous development since many years, thanks to its open-source and great community support.
The aim of this workshop is to bring together graduate students and young scientists working with QE, as well as general people with interest in QE. The workshop will cover basic concepts and recent advances and developments of QE, including geometry optimizations, band structure, linear-response theory and phonons, transport, and thermoelectric power of some materials, including graphene and carbon nanotubes.
What we will learn in the workshop:
Quantum ESPRESSO (QE):
Goal and significance:
Date & Time
Friday, February 26, 2016
9:30 a.m. to 3:00 p.m.
Room 721 & 745, H-03 (Science Complex B),
Department of Physics, Tohoku University
6-3, Aoba, Aramaki, Aoba-ku, Sendai, 980-8578, Japan
Tohoku University Aobayama Campus
All the participants are kindly requested to make the registration of the workshop by Feb. 20, 2016.
Please access the registration web site athttps://sites.google.com/site/fpw2016md/
and fill the online registration form.
No registration fee will be charged.
The workshop is totally free.
Thank you for your interest in joining this workshop. We are sorry that, due to a large number of applications, we have closed this registration form by Feb. 19th. Nevertheless, for those who cannot attend the workshop directly on Feb. 26, we will later provide the materials available for download in this website. For those who have been successfully registered and confirmed by our e-mail, we are looking forward to seeing you on Feb. 26.