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4 results in Authors: Difan Zhang

Theoretical and Computational Chemistry

Pairing a Global Optimization Algorithm with EXAFS to Accelerate Prediction of Lanthanide Structures in Solution

Thomas Summers, Difan Zhang, Josiane Sobrinho, Ana de Bettencourt-Dias, Roger Rousseau, Vassiliki-Alexandra Glezakou, David Cantu

Version 3 posted 14 November 2024

206

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Theoretical and Computational Chemistry

Adaptive Learning Reaction Pathways Search

Malgorzata Z Makos, Difan Zhang, Roger Rosseau, Vassiliki-Alexandra Glezakou

Version 1 posted 07 November 2024

117

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Theoretical and Computational Chemistry

Asynchronous Swarm-Based Global Optimisation: Overcoming Premature Convergence to Produce Realistic Pt Nanoparticle Ensembles

Julian Holland, Malgorzata Makos, Difan Zhang, Loukas Kollias, Mal-soon Lee, Roger Rousseau, Vanda Glezakou, Chris-Kriton Skylaris

Version 2 posted 14 November 2024

148

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Theoretical and Computational Chemistry

pyGlobOpt: Parallel Global Optimization Software for Nanoclusters, Materials, and Beyond

Małgorzata Z. Makoś, Julian Holland, Difan Zhang, Loukas Kollias, Mal-Soon Lee, Roger Rousseau, Chris-Kriton Skylaris, Vassiliki-Alexandra Glezakou

Version 1 posted 23 December 2024

0

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