Solving Millions of Eigenvectors in Large-Scale Quantum-Many-Body-Theory Computations

Alexey Tal,Martijn Marsman,Georg Kresse,Anton Anders, Samuel Rodríguez, Kyungjoo Kim,Alexander Kalinkin, Alexey Romanenko, Matthias Noack, Patrick Atkinson,Stefan Maintz

ISC High Performance（2024）

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关键词

High Performance Computing,Accelerator Architectures,Linear Algebra,Distributed Eigensolvers,Quantum-Many-Body-Theory Simulations,Quantum Chemistry,Bethe-Salpeter Equation,VASP,Photovoltaics

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