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TITLE: Proton transfer in [HEIM][TFSI] ionic liquid: insights from polarisable and neural network simulations
AUTHORS: Martin Otero-Lema; Kateryna Goloviznina; Luis Miguel Varela; Mathieu Salanne; Hadrián Montes-Campos; ALESSANDRA SERVA;
PUBLISHED: 2025
INDEXED IN: CrossRef
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2
TITLE: KUTE: Green-Kubo Uncertainty-Based Transport Coefficient Estimator  Full Text
AUTHORS: Otero Lema, M; Lois Cuns, R; Boado, MA; Hadrián Montes-Campos; Méndez Morales, T; Varela, LM;
PUBLISHED: 2025, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 65, ISSUE: 7
INDEXED IN: WOS CrossRef
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3
TITLE: On the structure of hybrid water-in-salt electrolytes  Full Text
AUTHORS: Lois Cuns, R; Santiago Alonso, A; Otero Lema, M; Parajó, JJ; Salgado, J; Hadrián Montes-Campos; Méndez Morales, T; Varela, LM;
PUBLISHED: 2025, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 27, ISSUE: 25
INDEXED IN: WOS CrossRef
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4
TITLE: Study of the properties of nanoconfined EMIMBF4 using polarizable molecular dynamics
AUTHORS: Ángel Míguez-Roel; Martín Otero-Lema; Raúl Lois-Cuns; Hadrián Montes-Campos; Trinidad Méndez-Morales; Luis M Varela;
PUBLISHED: 2025, SOURCE: The Journal of Chemical Physics, VOLUME: 163, ISSUE: 19
INDEXED IN: CrossRef
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5
TITLE: Neural Network-based Simulations of Solid Electrolyte Interfaces
AUTHORS: Martín Otero-Lema; Raúl Lois-Cuns; Ángel Míguez-Roel; Trinidad Méndez-Morales; Luis Miguel Varela; Hadrián Montes-Campos;
PUBLISHED: 2025
INDEXED IN: CrossRef
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6
TITLE: Addressing pathological deficiencies in the simulation of complex charged fluids using neural network force fields  Full Text
AUTHORS: Hadrián Montes-Campos; Otero Lema, M; Méndez Morales, T;
PUBLISHED: 2025, SOURCE: SCIENTIFIC REPORTS, VOLUME: 15, ISSUE: 1
INDEXED IN: WOS CrossRef: 1
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7
TITLE: Modelling proton transfer in [HEIM][TFSI] ionic liquid
AUTHORS: Otero Lema, M; Goloviznina, K; Varela, LM; Salanne, M; Hadrián Montes-Campos; Serva, A;
PUBLISHED: 2025, SOURCE: MATERIALS TODAY ENERGY, VOLUME: 53
INDEXED IN: WOS CrossRef
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8
TITLE: Study of the properties of nanoconfined EMIMBF<sub>4</sub> using polarizable molecular dynamics  Full Text
AUTHORS: Míguez Roel, A; Otero Lema, M; Lois Cuns, R; Hadrián Montes-Campos; Méndez Morales, T; Varela, LM;
PUBLISHED: 2025, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 163, ISSUE: 19
INDEXED IN: WOS
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9
TITLE: Thermodynamic Study of Alkylsilane and Alkylsiloxane-Based Ionic Liquids
AUTHORS: Silva, Rodrigo M. A. ; Hadrián Montes-Campos; Ferreira, Ana I. M. C. Lobo; Bakis, Eduards; Santos, Luis M. N. B. F. ;
PUBLISHED: 2024, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 128, ISSUE: 15
INDEXED IN: Scopus WOS CrossRef: 5 Unpaywall
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10
TITLE: Ternary Solid Polymer Electrolytes at the Electrochemical Interface: A Computational Study  Full Text
AUTHORS: Rivera Pousa, Alejandro; Otero Mato, Jose Manuel; Hadrián Montes-Campos; Mendez Morales, Trinidad; Diddens, Diddo; Heuer, Andreas; Varela, Luis Miguel;
PUBLISHED: 2024, SOURCE: MACROMOLECULES, VOLUME: 57, ISSUE: 9
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