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Jorge Galvez-Vallejo

3 results in Authors: Jorge Galvez-Vallejo

Theoretical and Computational Chemistry

Automatic Molecular Fragmentation by Evolutionary Optimisation

Fiona Yu, Jorge Galvez-Vallejo, Giuseppe Maria Junior Barca

Version 1 posted 06 August 2024

134

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Theoretical and Computational Chemistry

Benchmarking the MBE, FMO, and CPF GPU-Accelerated Fragmentation Methods for Accuracy and Parallel Time-to-Solution

Fazeleh Kazemian, Jorge Galvez Vallejo, Andrew Gilbert, Zoe Seeger, Ekaterina Izgorodina, Giuseppe Maria Junior Barca

Version 1 posted 12 October 2023

217

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Theoretical and Computational Chemistry

CONQUEST: Conformer-generator via Quantum Electronic Structure Torsions

Jack Miller, Jorge Galvez Vallejo, Giuseppe Maria Junior Barca

Version 2 posted 17 October 2023

275

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