most citedGuaranteed DGEMM Accuracy While Using Reduced Precision Tensor Cores Through Extensions of the Ozaki Scheme

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physics.chem-ph2026

Hunting for quantum advantage in electronic structure calculations is a highly non-trivial task

Örs Legeza, Andor Menczer, Miklós Antal Werner +7

In light of major developments over the past decades in both quantum computing and simulations on classical hardware, it is a serious challenge to identify a real-world problem whe…

physics.chem-ph2025

Mixed-precision ab initio tensor network state methods adapted for NVIDIA Blackwell technology via emulated FP64 arithmetic

Cole Brower, Samuel Rodriguez Bernabeu, Jeff Hammond +5

We report cutting-edge performance results via mixed-precision spin adapted ab initio Density Matrix Renormalization Group (DMRG) electronic structure calculations utilizing the Oz…