Zobrazeno 1 - 10
of 243
pro vyhledávání: '"Varela Luis M."'
Publikováno v:
EPJ Web of Conferences, Vol 255, p 05002 (2021)
In this contribution we simulate the refractive index of several ion combinations yielding ionic liquids. The results show that their structural tunability can be exploited to successfully design liquids with task-specific refractive indices over a w
Externí odkaz:
https://doaj.org/article/f3d0f3b480fe4fcda4c52916122d7073
Autor:
Otero-Lema, Martín, Lois-Cuns, Raúl, Martínez-Crespo, Pablo, Rivera-Pousa, Alejandro, Montes-Campos, Hadrián, Méndez-Morales, Trinidad, Varela, Luis M.
Publikováno v:
In Journal of Molecular Liquids 1 July 2024 405
Autor:
Montes-Campos, Hadrián, Carrete, Jesús, Bichelmaier, Sebastian, Varela, Luis M., Madsen, Georg K. H.
We present NeuralIL, a model for the potential energy of an ionic liquid that accurately reproduces first-principles results with orders-of-magnitude savings in computational cost. Based on a multilayer perceptron and spherical Bessel descriptors of
Externí odkaz:
http://arxiv.org/abs/2106.16220
Autor:
Rivera-Pousa, Alejandro, Otero-Mato, José M., Rodríguez-Fernández, Carlos Damián, Zhour, Kazem, Montes-Campos, Hadrián, Méndez-Morales, Trinidad, Varela, Luis M.
Publikováno v:
In Journal of Molecular Liquids 15 December 2023 392 Part 2
Autor:
Otero-Lema, Martín a, b, 1, Martínez-Crespo, Pablo a, b, 1, Méndez-Morales, Trinidad a, b, Montes-Campos, Hadrián a, b, c, ⁎, Varela, Luis M. a, b, ⁎
Publikováno v:
In Journal of Molecular Liquids 15 September 2023 386
Autor:
Lois-Cuns, Raúl, Otero-Lema, Martín, Rivera-Pousa, Alejandro, Vallet, Pablo, Parajó, Juan J., Cabeza, Oscar, Montes-Campos, Hadrián, Méndez-Morales, Trinidad, Varela, Luis M.
Publikováno v:
In Journal of Molecular Liquids 1 September 2023 385
Autor:
Montes-Campos, Hadrián, Otero-Mato, José Manuel, Méndez-Morales, Trinidad, Cabeza, Oscar, Gallego, Luis J., Ciach, Alina, Varela, Luis M.
Publikováno v:
Physical Chemistry Chemical Physics 19.36 (2017): 24505-24512
We perform molecular dynamics simulations of ionic liquids confined between graphene walls under a large variety of conditions (pure ionic liquids, mixtures with water and alcohols, mixtures with lithium salts and defective graphene walls). Our resul
Externí odkaz:
http://arxiv.org/abs/1902.04835
Autor:
Latorre-Arca, David, Soledad Larrechi, M., Salavera, Daniel, Coronas, Alberto, Rodríguez-Fortea, Antonio, Rivera-Pousa, Alejandro, Méndez-Morales, Trinidad, Varela, Luis M.
Publikováno v:
In Journal of Molecular Liquids 15 December 2022 368 Part B
Autor:
Parajó, Juan J., Otero-Mato, José M., Lobo Ferreira, Ana I.M.C., Varela, Luis M., Santos, Luis M.N.B.F.
Publikováno v:
In Journal of Molecular Liquids 15 August 2022 360
Autor:
Martínez-Crespo, Pablo, Otero-Lema, Martín, Cabeza, Oscar, Montes-Campos, Hadrián, Varela, Luis M.
Publikováno v:
In Journal of Molecular Liquids 1 August 2022 359