Molecular dynamics simulation of the behaviour of water in nano-confined ionic liquid–water mixtures B Docampo-Álvarez, V Gómez-González, H Montes-Campos, ... Journal of Physics: Condensed Matter 28 (46), 464001, 2016 | 68 | 2016 |
A differentiable neural-network force field for ionic liquids H Montes-Campos, J Carrete, S Bichelmaier, LM Varela, GKH Madsen Journal of chemical information and modeling 62 (1), 88-101, 2021 | 34 | 2021 |
Nanostructured solvation in mixtures of protic ionic liquids and long-chained alcohols H Montes-Campos, JM Otero-Mato, T Mendez-Morales, E López-Lago, ... The Journal of Chemical Physics 146 (12), 2017 | 33 | 2017 |
Molecular dynamics analysis of the effect of electronic polarization on the structure and single-particle dynamics of mixtures of ionic liquids and lithium salts V Lesch, H Montes-Campos, T Méndez-Morales, LJ Gallego, A Heuer, ... The Journal of chemical physics 145 (20), 2016 | 32 | 2016 |
Thermo-switchable de novo ionogel as metal absorbing and curcumin loaded smart bandage material M Kuddushi, NK Patel, SL Gawali, JP Mata, H Montes-Campos, ... Journal of Molecular Liquids 306, 112922, 2020 | 28 | 2020 |
Two-dimensional pattern formation in ionic liquids confined between graphene walls H Montes-Campos, JM Otero-Mato, T Méndez-Morales, O Cabeza, ... Physical Chemistry Chemical Physics 19, 24505-24512, 2017 | 25 | 2017 |
3D structure of the electric double layer of ionic liquid–alcohol mixtures at the electrochemical interface JM Otero-Mato, H Montes-Campos, O Cabeza, D Diddens, A Ciach, ... Physical Chemistry Chemical Physics 20 (48), 30412-30427, 2018 | 23 | 2018 |
Solvation of Al 3+ cations in bulk and confined protic ionic liquids: a computational study V Gómez-González, B Docampo-Álvarez, H Montes-Campos, JC Otero, ... Physical Chemistry Chemical Physics 20 (28), 19071-19081, 2018 | 20 | 2018 |
Molecular dynamic simulation, molecular interactions and structural properties of 1-butyl-3-methylimidazolium bis (trifluoromethylsulfonyl) imide+ 1-butanol/1-propanol mixtures … U Fatima, N Anwar, H Montes-Campos, LM Varela Fluid phase equilibria 472, 9-21, 2018 | 19 | 2018 |
Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning J Carrete, H Montes-Campos, R Wanzenböck, E Heid, GKH Madsen The Journal of Chemical Physics 158 (20), 2023 | 17 | 2023 |
Nanoconfined ionic liquids: A computational study JM Otero-Mato, H Montes-Campos, O Cabeza, LJ Gallego, LM Varela Journal of Molecular Liquids 320, 114446, 2020 | 12 | 2020 |
Random-alloy model for the conductivity of ionic liquid–solvent mixtures H Montes-Campos, S Kondrat, E Rilo, O Cabeza, LM Varela The Journal of Physical Chemistry C 124 (22), 11754-11759, 2020 | 12 | 2020 |
Structure, dynamics and ionic conductivities of ternary ionic liquid/lithium salt/DMSO mixtures P Martínez-Crespo, M Otero-Lema, O Cabeza, H Montes-Campos, ... Journal of Molecular Liquids 359, 119188, 2022 | 10 | 2022 |
Structure, dynamics and conductivities of ionic liquid-alcohol mixtures JM Otero-Mato, H Montes-Campos, V Gómez-González, M Montoto, ... Journal of Molecular Liquids 355, 118955, 2022 | 10 | 2022 |
Experimental and MD simulation investigation on thermophysical properties of binary/ternary mixtures of 1-butyl-3-methylimidazolium trifluoromethanesulfonate with molecular … U Fatima, H Montes-Campos, LM Varela Journal of Molecular Liquids 302, 112481, 2020 | 10 | 2020 |
Solvation in ionic liquid-water mixtures: A computational study JM Otero-Mato, V Lesch, H Montes-Campos, J Smiatek, D Diddens, ... Journal of Molecular Liquids 292, 111273, 2019 | 10 | 2019 |
Borophene vs. graphene interfaces: Tuning the electric double layer in ionic liquids V Gomez-Gonzalez, JM Otero-Mato, H Montes-Campos, ... Journal of Molecular Liquids 303, 112647, 2020 | 9 | 2020 |
Mixtures of Lithium Salts and Ionic Liquids at Defected Graphene Walls H Montes-Campos, JM Otero-Mato, RC Longo, O Cabeza, LJ Gallego, ... Journal of Molecular Liquids 289, 111083, 2019 | 7 | 2019 |
GADDLE maps: general algorithm for discrete object deformations based on local exchange maps JM Otero-Mato, H Montes-Campos, M Calvelo, R Garcia-Fandino, ... Journal of Chemical Theory and Computation 14 (2), 466-478, 2018 | 6 | 2018 |
Evaluation of hydrogen storage ability of hydroquinone clathrates using molecular simulations T Méndez-Morales, H Montes-Campos, M Pérez-Rodríguez, MM Piñeiro Journal of Molecular Liquids 360, 119487, 2022 | 5 | 2022 |