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ORCIDJosé Manuel Vicent-Luna
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Journal Articles
- 2022
[j3]Juan Antonio Seijas-Bellido, Bipasa Samanta, Karen Valadez-Villalobos, Juan Jesús Gallardo
, Javier Navas, Salvador R. G. Balestra, Rafael María Madero Castro, José Manuel Vicent-Luna, Shuxia Tao, Maytal Caspary Toroker, Juan Antonio Anta:
Transferable Classical Force Field for Pure and Mixed Metal Halide Perovskites Parameterized from First-Principles. J. Chem. Inf. Model. 62(24): 6423-6435 (2022)- 2021
- [j2]José Manuel Vicent-Luna, Sofia Apergi, Shuxia Tao:
Efficient Computation of Structural and Electronic Properties of Halide Perovskites Using Density Functional Tight Binding: GFN1-xTB Method. J. Chem. Inf. Model. 61(9): 4415-4424 (2021) - 2016
- [j1]Mahinder Ramdin, Qu Chen, Sayee Prasaad Balaji, José Manuel Vicent-Luna, Ariana Torres-Knoop, David Dubbeldam, Sofía Calero, Theo W. de Loos, Thijs J. H. Vlugt:
Solubilities of CO2, CH4, C2H6, and SO2 in ionic liquids and Selexol from Monte Carlo simulations. J. Comput. Sci. 15: 74-80 (2016)
Informal and Other Publications
- 2024
- [i1]Marko Petkovic, José Manuel Vicent-Luna, Vlado Menkovski, Sofía Calero:
Graph Neural Networks for Carbon Dioxide Adsorption Prediction in Aluminium-Exchanged Zeolites. CoRR abs/2403.12659 (2024)
Coauthor Index
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