Overview
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Learn to perform research-grade Quantum Monte Carlo calculations on bulk and 2D monolayer germanium selenide (GeSe) systems using QMCPACK software. Master publication-level computational workflows through hands-on demonstrations led by Hyeondeok Shin, covering both three-dimensional bulk crystal structures and two-dimensional monolayer configurations of this important semiconductor material. Explore advanced QMC methodologies for studying electronic properties, structural optimization, and comparative analysis between bulk and monolayer phases. Access comprehensive presentation materials and example calculation files through the accompanying GitHub repository to practice implementing these sophisticated computational techniques in your own research projects.
Syllabus
Real-world calculations: bulk and 2D monolayer GeSe - QMC and QMCPACK Summer School 2025 (6.2/7)
Taught by
QMCPACK