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3 results in Authors: Carles Curutchet

Theoretical and Computational Chemistry

Improved description of environment and vibronic effects with electrostatically embedded ML potentials

Kirill Zinovjev, Carles Curutchet

Version 2 posted 06 December 2024

176

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Physical Chemistry

Engineering Excitonically-Coupled Dimers in an Artificial Protein for Light Harvesting via Molecular Dynamics Simulations

Mariano Curti, Valentin Maffeis, Luís G.T.A. Duarte, Saeed Shareef, Luisa X. Hallado, Carles Curutchet, Elisabet Romero

Version 1 posted 27 October 2022

268

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1

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Physical Chemistry

Prediction of Toluene/Water Partition Coefficient in the SAMPL9 Blind Challenge: Assessment of Machine Learning and IEF-PCM/MST Continuum Solvation Models

William J. Zamora Ramírez, Antonio Viayna, Silvana Pinheiro, Carles Curutchet, Laia Bisbal, Rebeca Ruiz, Clara Ràfols, F. Javier Luque

Version 1 posted 30 March 2023

327

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