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bethe-salpeter equation 1excited-state simulations 1gw method 1high-performance computing 1plane-wave pseudopotentials 1

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20242026
most citedThe Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project

4 citations · 4 across the 4 of their papers we have counts for

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quant-ph2024

Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

Yuri Alexeev, Maximilian Amsler, Paul Baity +124

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of e…