ProfileOfResearchers

TITLE: Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning Full Text
AUTHORS: Carrete, Jesus; Hadrián Montes-Campos; Wanzenboeck, Ralf; Heid, Esther; Madsen, Georg K. H.;
PUBLISHED: 2023, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 158, ISSUE: 20

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TITLE: Mixtures of ethylammonium nitrate and ethylene carbonate: Bulk and interfacial analysis Full Text
AUTHORS: Lois Cuns, Raul; Otero Lema, Martin; Rivera Pousa, Alejandro; Vallet, Pablo; Parajo, Juan J.; Cabeza, Oscar; Hadrián Montes-Campos; Mendez Morales, Trinidad; Varela, Luis M.;
PUBLISHED: 2023, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 385

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TITLE: Interfacial structure of protic and aprotic ionic liquid-DMSO-Li salt mixtures near charged and neutral electrodes: A Molecular Dynamics study Full Text
AUTHORS: Otero Lema, Martin; Martinez Crespo, Pablo; Mendez Morales, Trinidad; Hadrián Montes-Campos; Varela, Luis M.;
PUBLISHED: 2023, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 386

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TITLE: Size Matters: A Computational Study of Hydrogen Absorption in Ionic Liquids Full Text
AUTHORS: Rivera Pousa, Alejandro; Lois Cuns, Raul; Otero Lema, Martin; Hadrián Montes-Campos; Mendez Morales, Trinidad; Varela, Luis Miguel;
PUBLISHED: 2023, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 64, ISSUE: 1

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