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cond-mat.mtrl-sci2024
Automated Workflow for Accurate High-Throughput GW Calculations
Lorenzo Varrassi, Florian Ellinger, Espen Flage-Larsen +4
The GW approximation represents the state-of-the-art ab-initio method for computing excited-state properties. Its execution requires control over a larger number of (often interdep…
cond-mat.mtrl-sci2024★ 1 cited
Ultrastrong coupling between polar distortion and optical properties in ferroelectric MoBrO
Zhaojun Li, Lorenzo Varrassi, Yali Yang +3
Tuning the properties of materials using external stimuli is crucial for developing versatile smart materials. A strong coupling among order parameters within a single-phase materi…