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Theoretical and Computational Chemistry

(3)

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Review

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Pit Steinbach

3 results in Authors: Pit Steinbach

Theoretical and Computational Chemistry

Combining low-cost electronic structure theory and low-cost parallel computing architecture

Pit Steinbach, Christoph Bannwarth

Version 1 posted 14 December 2023

224

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Theoretical and Computational Chemistry

Acceleration of semi-empirical electronic structure theory calculations on consumer-grade GPUs using mixed precision density matrix purification

Pit Steinbach, Christoph Bannwarth

Version 2 posted 23 April 2025

223

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Theoretical and Computational Chemistry

Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding

Abylay Katbashev, Marcel Stahn, Thomas Rose, Vahideh Alizadeh, Marvin Friede, Christoph Plett, Pit Steinbach, Sebastian Ehlert

Version 2 posted 18 February 2025

522

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