Dear collegues,

You’re invited to attend our latest free webinar from Materials Square (http://www.matsq.com), taking place on 28^th of July this month at 4:00 PM (KST) by Prof.Xavier Gonze from Louvain-la-Neuve University:

Electronic structure including electron-phonon effects.

Find out about the effect of atomic motion through electron-phonon interaction on electronic properties. This effect is ignored in most first-principles calculations, although sometimes included within the adiabatic approximation. Dr. Xavier at one of his works reported the first-principles evaluation of zero-point renormalization (ZPR) beyond the adiabatic approximation for 30 materials. When light elements (e.g., oxygen) are present, ZPR is often larger than 0.3 eV and can be bigger than 1 eV. This effect cannot be ignored if accurate band gaps are sought it is useless to go beyond G0W0 without including ZPR effects in such materials.

As more info Prof. Xavier Gonze is a world-class computational scientist who is at the head of the development and management of the ABINIT DFT code one of the commonly known codes in the field of ab-initio calculations.

Book your spot to discover more:

Date and Time (across several time zones):

• 28 July 2022, 09:00 - 10:00 | CEST, Paris
• 28 July 2022, 16:00 - 17:00 | KST, Seoul
• 28 July 2022, 00:00 - 01:00 | PDT, Los Angeles
• 28 July 2022, 12:30 - 13:30 | IST, New Delhi

Registration Link: https://www.materialssquare.com/webinar

Looking forward to welcome you all,

Kind Regards

Mosab