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physics.chem-ph2026
Full-frequency GW from Cayley-transformed self-energy moments
Marcus K. Allen, George H. Booth
The dynamical GW self-energy approximation is a key computational tool to provide the fundamental spectrum of electronic systems. We reformulate this approximation, representing th…
cond-mat.mtrl-sci2026
The Future of Computing for Materials Science Challenges
Phalgun Lolur, Richard P. Padbury, George H. Booth +10
Materials discovery increasingly relies on the coordinated use of theory, computation, experiment, data-driven methods, and emerging quantum technologies, yet the full potential of…