Zobrazeno 1 - 10
of 214
pro vyhledávání: '"Varela Luis M."'
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
Autor:
Otero-Mato, José M., Montes-Campos, Hadrián, Gómez-González, Víctor, Montoto, Martín, Cabeza, Oscar, Kondrat, Svyatoslav, Varela, Luis M.
Publikováno v:
In Journal of Molecular Liquids 1 June 2022 355