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Physical Chemistry

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Theoretical and Computational Chemistry

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Elise Palethorpe

3 results in Authors: Elise Palethorpe

Theoretical and Computational Chemistry

High-performance multi-GPU analytic RI-MP2 energy gradients

Ryan Stocks, Elise Palethorpe, Giuseppe Maria Junior Barca

Version 1 posted 19 February 2024

433

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Theoretical and Computational Chemistry

Assessment of Basis Set Projection and Many-Body Expansion for Initial Guesses of Self-Consistent Field Calculations

Fiona Yu, Christopher Seidl, Elise Palethorpe, Giuseppe Maria Junior Barca

Version 1 posted 29 October 2024

200

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Theoretical and Computational Chemistry

High-Performance, High-Angular-Momentum J Engine on Graphics Processing Units

Elise Palethorpe, Giuseppe Maria Junior Barca

Version 1 posted 16 May 2025

97

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