Seminar on Condensed Matter Theory
Group of Theoretical Physics at the Department of Condensed Matter Physics
of Charles University has a pleasure to invite you to attend the seminar
on 27th March 2025 at 13:00
at Faculty of Mathematics and Physics of Charles University, Ke Karlovu 5, 121 16 Praha 2
Seminar room F 052
Prof. Masao Obata
Kanazawa University
Recent Development of Quasi-Particle Self-Consistent GW Calculation Code: GPU Implementation and Application on the Type-II Superlattice InAs/GaSb and Ferromagnetic Shape Memory Alloy Ni2MnGa
Prof. Masao Obata » Recent Development of Quasi-Particle Self-Consistent GW Calculation Code: GPU Implementation and Application on the Type-II Superlattice InAs/GaSb and Ferromagnetic Shape Memory Alloy Ni2MnGa
Kanazawa University
Location: Lecture room F2, Ke Karlovu 5
The quasi-particle self-consistent GW (QSGW) method is a promising approach for investigating electronic structures, including excited states. However, its computational cost is relatively high compared to conventional electronic structure calculations based on the Kohn-Sham density functional theory (DFT). In this work, we introduce a highly powerful computational accelerator (GPU) to enhance the calculation speed, thereby expanding the applicability of the QSGW method. In this seminar, we review the fundamentals of the QSGW method, its implementation in computational codes, and the integration of GPU technology. By effectively utilizing GPUs, we achieved a significant reduction in computational time. As a demonstration of these advancements, we will present results for type-II semiconductor superlattices (InAs/GaSb) and ferromagnetic shape memory alloys (Ni2MnGa).