Elise Palethorpe

6PUBLICATIONS
3CO-AUTHORS
Reaction engineering (excl. nuclear reactions)Procedural content generationComputational chemistryOptimisationNumerical solution of differential and integral equations
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Publications (6)

|May 05, 2026
Double-Hybrid, but Not Double-Cost: GPU-Accelerated DHDFT for the COMPAS-3 Data Set of Polybenzenoid Hydrocarbons.

|Sep 15, 2025
High-Performance, High-Angular-Momentum J Engine on Graphics Processing Units.

Elise Palethorpe, Giuseppe M J Barca

|Jan 29, 2025
Acceleration of Self-Consistent Field Calculations Using Basis Set Projection and Many-Body Expansion as Initial Guess Methods.

Fiona C Y Yu, Christopher Seidl, Elise Palethorpe

|Nov 25, 2024
Advanced Techniques for High-Performance Fock Matrix Construction on GPU Clusters.

Elise Palethorpe, Ryan Stocks, Giuseppe M J Barca

|Aug 28, 2024
Multi-GPU RI-HF Energies and Analytic Gradients─Toward High-Throughput Ab Initio Molecular Dynamics.

Ryan Stocks, Elise Palethorpe, Giuseppe M J Barca

|Mar 08, 2024
High-Performance Multi-GPU Analytic RI-MP2 Energy Gradients.

Ryan Stocks, Elise Palethorpe, Giuseppe M J Barca

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Frequent Collaborators

5 joint publications

Giuseppe M J Barca

4 joint publications

Ryan Stocks

1 joint publications

Amir Karton