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Perfil investigador
Esp
Dr. José Alejandre Ramírez

Professor
Departament of Chemistry

Division of Basic Sciences and Engineering


Emeritus
Member of the National System of Researchers
(SNII)

Physics-Mathematics and Earth Sciences



Iztapalapa Campus

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Sustainable Development Goals

• 3 Good Health and Well-being

• 4 Quality Education

• 7 Affordable and Clean Energy


Research interests

• Dinámica Molecular y Monte Carlo
• Desarrollo de campos de fuerza
• Solventes polares y iónicos
• Extracción de contaminantes en hidrocarburos
• Solubilidad de fármacos en agua

Profile

Professor José Alejandre Ramírez received his BS, MS and Ph.D. degrees from the Universidad Autónoma Metropolitana (UAM) Iztapalapa Campus. He has done sabbatical stays at the University of Southampton, England (2 years), Mexican Petroleum Institute (1 year), and the University of Cambridge, England (1 year). He has been head of the Chemistry Department and belongs to the National System of Researchers at level III.

He has lectured in national and international forums and has published 91 research articles in specialized journals. According to Google Scholar, he has more than 4600 citations to his works with an H index of 35 and has two articles of the most read Mexican authors according to the American Institute of Physics. He has directed 15 undergraduate, nine master's, and eight doctoral students. He has received in his research group three postdoctoral fellows, four sabbaticals, and a curricular professor. He has developed projects with Unilever (England), Instituto Mexicano del Petróleo and Centro de Investigación en Polímeros-COMEX.

His lines of research are oriented toward understanding the effect that molecular interactions have on the physicochemical properties of matter. He uses quantum chemistry methods and molecular simulation to develop :

1 Molecular dynamics methods, Monte Carlo and dissipative particle dynamics.
2 Non-polarizable force fields of polar and ionic liquids as well as solids.
3 Electrolytes to improve ionic conductivity in energy storage devices for lithium ions and other metals using polar solvents, polar solvents and
using polar solvents, ionic liquids, polymers and carbon nanotubes.
4 Solvents to increase the solubility and release of drugs in water using cocrystals, ionic liquids at room temperature, cyclodextrins and cyclodextrins.
ionic liquids, cyclodextrins and polymers.
5 Studies of drug and ion transport in lipid membranes and proteins at the mesoscopic level.
6 Methods for the extraction of contaminant compounds in gasoline and diesel.



Information provided by the academic staff

Research interests

• Dinámica Molecular y Monte Carlo
• Desarrollo de campos de fuerza
• Solventes polares y iónicos
• Extracción de contaminantes en hidrocarburos
• Solubilidad de fármacos en agua

Academic Work

On the following pages you can consult the research work:



Other sites of interest

Consult the research work on other websites:






Some examples of publications

Select the bibliographic reference to consult each publication:


Open Access References UN SDGs
Salas, F.J., Núñez-Rojas, E., Alejandre, J. (2025).Parameterization of phenol, benzoic acid and phenolic acids to obtain their solubility in water. Journal of Molecular Liquids,427
Pozos-García, J., Núñez-Rojas, E., Luis Quiroz-Fabián, J. and 2 more (...) (2024).Efficient search of molecular interaction parameters for polar liquids. Molecular Physics,122(19-20)
Ferrer-Guadalupe, M., Duarte-Mendoza, J., Mendoza-Ambrosio, F.N. and 1 more (...) (2024).Absorption of active pharmaceutical ingredients in a protein/lipid bilayer by dissipative particle dynamics. Molecular Physics,122(21-22)
Núñez-Rojas, E., Alarcón, K.G., Alejandre, J. (2024).Extraction of N- and S-compounds in gasoline and diesel from ionic liquids: A molecular dynamics study. Journal of Molecular Liquids,397
OANúñez-Rojas, E., Luz, A.P.L., Saint-Martin, H. and 1 more (...) (2024).Fifty Years of Molecular Simulations at UAM and in Mexico. Journal of the Mexican Chemical Society,68(4) 717-742
OASamaniego-Rojas, J.D., Gaumard, R., Alejandre, J. and 3 more (...) (2024).A molecular mechanics implementation of the cyclic cluster model. Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences,79(4) 201-213
OACarmona-Espíndola, J., García-Melgarejo, V., Núñez-Rojas, E. and 4 more (...) (2024).ADCHα-I population analysis and constrained dipole moment density functional theory in force fields for molecular simulations. Journal of Chemical Physics,161(14)
Núñez-Rojas, E., González, I., Guzmán-González, G. and 1 more (...) (2023).Molecular dynamics simulations for liquid electrolytes of propylene carbonate with LiTFSI, LiPF6, and LiBF4 salts. Journal of Molecular Liquids,390| 7 |
Prado-Arroyo, J.L., García-Melgarejo, V., Alejandre, J. (2023).Transferable united atom model for carbohydrates with explicit water: Glucose and sucrose. Journal of Molecular Liquids,385
OASamaniego-Rojas, J.D., Hernández-Segura, L.-I., López-Sosa, L. and 11 more (...) (2022).Chapter 1: QM/MM with Auxiliary DFT in deMon2k. RSC Theoretical and Computational Chemistry Series,2022-(22) 1-54
Vargas-Olvera, E.C., Salas-Sánchez, F.J., Colin-Molina, A. and 6 more (...) (2022).Molecular Dynamics Studies of Aromatic Guests in Three Isostructural Inclusion Compounds with Molecular Boron–Nitrogen Hosts. Crystal Growth and Design,22(1) 570-584
García-Melgarejo, V., Núñez-Rojas, E., Alejandre, J. (2021).United atom model via interactions with explicit water (UAMI-EW): Alcohols and ketones. Journal of Molecular Liquids,323
Martínez-Jiménez, M., Serrano-Ocaña, M., Alejandre, J. (2021).United atom model for ionic liquids: UAM-IL. Journal of Molecular Liquids,329
García-Melgarejo, V., Alejandre, J., Núñez-Rojas, E. (2020).Parametrization with Explicit Water of Solvents Used in Lithium-Ion Batteries: Cyclic Carbonates and Linear Ethers. Journal of Physical Chemistry B,124(23) 4741-4750| 7 |
Carmona-Espíndola, J., Núñez-Rojas, E., Garciá-Melgarejo, V. and 2 more (...) (2020).Constrained dipole moment density functional theory for charge distributions in force fields for the study of molecular fluids. Journal of Chemical Physics,152(12)
Zárate, J.A., Domínguez-Ojeda, E., Sánchez-González, E. and 6 more (...) (2020).Reversible and efficient SO2capture by a chemically stable MOF CAU-10: Experiments and simulations. Dalton Transactions,49(27) 9203-9207

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Courses taught by the professor in recent trimesters

*Courses are conducted in spanish

Num.Trim.Course NameLevel
1
25O
Procesos Dinámicos en Física Molecular IPosgrado
2
25O
Termodinámica EstadísticaPosgrado
3
25O
Fisicoquímica VLicenciatura
4
25P
Laboratorio de Fisicoquímica ComputacionalLicenciatura
5
25P
Introducción al Computo CientíficoPosgrado
6
25I
Fisicoquímica VLicenciatura
7
23P
Laboratorio de Fisicoquímica ComputacionalLicenciatura
8
23I
Fisicoquímica ComputacionalPosgrado
9
23I
Proyecto Terminal II FisicoquímicaLicenciatura
10
23I
Proyecto Terminal II FisicoquímicaLicenciatura
11
23I
Laboratorio de Fisicoquímica ComputacionalLicenciatura
12
23I
Transformaciones QuímicasLicenciatura
13
22O
Transformaciones QuímicasLicenciatura
14
22O
Laboratorio de Fisicoquímica ComputacionalLicenciatura
15
22O
Métodos de Simulación MolecularLicenciatura
16
22O
Proyecto Terminal I FisicoquímicaLicenciatura
17
22O
Proyecto Terminal I FisicoquímicaLicenciatura
18
22P
Transformaciones QuímicasLicenciatura
19
22P
Laboratorio de Fisicoquímica ComputacionalLicenciatura
20
22I
Laboratorio de Fisicoquímica ComputacionalLicenciatura
21
22I
Fisicoquímica VIILicenciatura
22
22I
Métodos de Simulación MolecularLicenciatura
23
22I
Proyecto Terminal II FisicoquímicaLicenciatura
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