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Your search keyword '"Guillén-Escamilla, Iván"' showing total 6 results
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6 results on '"Guillén-Escamilla, Iván"'

1. Argon force field revisited: a molecular dynamic study

Author

Méndez-Bermúdez, José Guillermo, Guillén-Escamilla, Iván, Méndez-Maldonado, Gloria Arlette, and Alva-Tamayo, José Abundio Daniel

Subjects
Condensed Matter - Soft Condensed Matter, Condensed Matter - Statistical Mechanics
Abstract

We report the improvement of five argon force fields by scaling Lennard-Jones energy ($\epsilon$) and distance ($\sigma$) parameters to reproduce liquid-vapor phase diagram and surface tension simultaneously, with molecular dynamics. Original force fields reproduce only liquid-vapor phase diagram among other properties except surface tension. Results showed that all force fields converge in a nearby region in the $\epsilon$-$\sigma$ phase space, which is different from the original values. This study gives the intervals where the numerical values of $\epsilon$ and $\sigma$ reproduce both properties mentioned above.

Published
2022

2. Equation of state, structure and diffusion coefficients of Gay-Berne fluids: the cases $\kappa'$ = 5; 10; 15; 20

Author

Méndez-Bermúdez, José Guillermo, Guillén-Escamilla, Iván, Mixteco-Sánchez, Juan Carlos, Méndez-Maldonado, Gloria Arlette, and González-Melchor, Minerva

Subjects
Condensed Matter - Soft Condensed Matter
Abstract

We performed extensive molecular dynamics simulations to obtain pressure-density phase diagram, orientational order parameter, pair correlation functions and translational diffusion coefficients of Gay-Berne fluids. Different sets of parameters were employed for the Gay-Berne potential, in particular we studied the cases $\kappa'=5, 10, 15, 20$ and $\kappa=3$, $\mu=2$, $\nu=1$ at different conditions of density and temperature. The structure was analyzed in terms of the order parameter and the pair correlation functions. We found that for the highest value $\kappa'=20$ the region where pressure increases with density is significantly reduced at low temperatures; additionally the pressure shows several decays with density as an indicative that several structural phases can take place. These effects are discussed in terms of the pair correlation functions. For higher temperatures the pressure shows only two decays for all $\kappa'$'s studied. As this parameter increases its value those decays are shifted to lower densities., Comment: 28 pages, 9 figures

Published
2019

4. A Method for Perception and Assessment of Semantic Textual Similarities in English.

Author

Zatarain, Omar, Rumbo-Morales, Jesse Yoe, Ramos-Cabral, Silvia, Ortíz-Torres, Gerardo, Sorcia-Vázquez, Felipe d. J., Guillén-Escamilla, Iván, and Mixteco-Sánchez, Juan Carlos

Subjects
ENGLISH language, PARTS of speech, PEARSON correlation (Statistics), KNOWLEDGE base, INFORMATION skills
Abstract

This research proposes a method for the detection of semantic similarities in text snippets; the method achieves an unsupervised extraction and comparison of semantic information by mimicking skills for the identification of clauses and possible verb conjugations, the selection of the most accurate organization of the parts of speech, and similarity analysis by a direct comparison on the parts of speech from a pair of text snippets. The method for the extraction of the parts of speech in each text exploits a knowledge base structured as a dictionary and a thesaurus to identify the possible labels of each word and its synonyms. The method consists of the processes of perception, debiasing, reasoning and assessment. The perception module decomposes the text into blocks of information focused on the elicitation of the parts of speech. The debiasing module reorganizes the blocks of information due to the biases that may be produced in the previous perception. The reasoning module finds the similarities between blocks from two texts through analyses of similarities on synonymy, morphological properties, and the relative position of similar concepts within the texts. The assessment generates a judgement on the output produced by the reasoning as the averaged similarity assessment obtained from the parts of speech similarities of blocks. The proposed method is implemented on an English language version to exploit a knowledge base in English for the extraction of the similarities and differences of texts. The system implements a set of syntactic and logical rules that enable the autonomous reasoning that uses a knowledge base regardless of the concepts and knowledge domains of the latter. A system developed with the proposed method is tested on the "test" dataset used on the SemEval 2017 competition on seven knowledge bases compiled from six dictionaries and two thesauruses. The results indicate that the performance of the method increases as the degree of completeness of concepts and their relations increase, and the Pearson correlation for the most accurate knowledge base is 77%. [ABSTRACT FROM AUTHOR]

Published
2023
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