Academic Work

• ORCID
• Google scholar
• Scopus

Sites of interest

• Personal Web Site
• Academic record on campus

Sustainable Development Goals

Research interests

• Study of non covalent interactions
• Prediction of the protein structure a reactivity
• Polymorphism in organic crystals
• Formation and properties of peptide crystals
• Surface reactivity

Profile

Professor Joel Ireta received his B.Sc. degree in Chemistry from the University of Guanajuato in 1992, and his M.Sc. and Ph.D. degrees in chemistry from the Universidad Autónoma Metropolitana (UAM) Iztapalapa Campus in 1995 and 1999, respectively. After a postdoctoral stay at the Fritz-Haber Institute of the Max Planck Society with the support of a scholarship from the Humboldt Foundation, and having formed a research group in biomaterials in the theory department of that institution, he joined the Department of Chemistry at UAM Iztapalapa Campus in 2007, first as a visiting professor and then as Professor. The field of research that he has been developing in recent years is based on the application of the theory of density functionals and classical molecular dynamics to systems where non-covalent interactions are fundamental to understand and predict their properties.

Information provided by the academic staff

Research interests

• Study of non covalent interactions
• Prediction of the protein structure a reactivity
• Polymorphism in organic crystals
• Formation and properties of peptide crystals
• Surface reactivity

Academic Work

On the following pages you can consult the research work:

• Google scholar

See publications

• Scopus

See publications

• ORCID

See publications

Other sites of interest

Consult the research work on other websites:

• Personal website

See information

• Academic record on campus

See information

Some examples of publications

Select the bibliographic reference to consult each publication:

Open Access	References	UN SDGs
OA	Castro, G., Pescador-Rojas, M., Ireta, J. (2026).Extracting Knowledge of 2D-Hybrid Halide Perovskite Materials: A Data Mining Approach. ChemistryOpen,15(3)	\| 7 \|
	Adasme-Carreño, F., Muñoz-Gutiérrez, C., Bedoya, M. and 1 more (...) (2025).From Infinite Helices to β Sheets: Structural Insights from Electronic Structure Calculations. Journal of Chemical Theory and Computation,21(22) 11783-11795
OA	Castro, G., Cruz-Borbolla, J., Galván, M. and 6 more (...) (2024).Hydrodesulfurization of Dibenzothiophene: A Machine Learning Approach. ChemistryOpen,13(9)
OA	Carmona-Espíndola, J., Flores, A., Ireta, J. and 1 more (...) (2024).Charge-transfer energy through the dipole moment. Journal of Chemical Physics,161(23)
OA	Adasme-Carreño, F., Ochoa-Calle, A., Galván, M. and 1 more (...) (2024).Conformational preference of dipeptide zwitterions in aqueous solvents. Physical Chemistry Chemical Physics,26(10) 8210-8218
OA	Bautista-Renedo, J., Ireta, J. (2024).Spurious proton transfer in hydrogen bonded dimers. Physical Chemistry Chemical Physics,26(32) 21468-21475
	Muñoz-Gutiérrez, C., Adasme-Carreño, F., Alzate-Morales, J. and 1 more (...) (2023).Effect of strand register in the stability and reactivity of crystals from peptides forming amyloid fibrils. Physical Chemistry Chemical Physics,25(35) 23885-23893
	Castro, G., Valente, J.S., Galván, M. and 1 more (...) (2022).Activated layered double hydroxides: assessing the surface anion basicity and its connection with the catalytic activity in the cyanoethylation of alcohols. Physical Chemistry Chemical Physics,24(38) 23507-23516
	Adasme-Carreño, F., Caballero, J., Ireta, J. (2021).PSIQUE: Protein Secondary Structure Identification on the Basis of Quaternions and Electronic Structure Calculations. Journal of Chemical Information and Modeling,61(4) 1789-1800
	M. del Campo, J., Ireta, J. (2021).Understanding the unusual stiffness of hydrophobic dipeptide crystals. Physical Chemistry Chemical Physics,23(20) 11931-11936

Courses taught by the professor in recent trimesters

*Courses are conducted in spanish

Num.	Trim.	Course Name	Level
1	26I	Fisicoquímica Vi	Licenciatura
2	26I	Espectroscopia	Posgrado
3	25O	Fisicoquímica Vi	Licenciatura
4	25O	Química Cuántica Avanzada	Posgrado
5	25O	Trabajo de Investigación V	Posgrado
6	25P	Estructura Atómica y Molecular	Posgrado
7	25P	Fisicoquímica Vi	Licenciatura
8	25P	Trabajo de Investigación IV	Posgrado
9	25I	Trabajo de Investigación III	Posgrado
10	25I	Fisicoquímica Vi	Licenciatura
11	24O	Estructura Atómica y Molecular	Posgrado
12	24O	Fisicoquímica Vi	Licenciatura
13	24O	Trabajo de Investigación II	Posgrado
14	24P	Fisicoquímica Vi	Licenciatura
15	24P	Trabajo de Investigación I	Posgrado
16	24I	Fisicoquímica Vi	Licenciatura
17	23O	Fisicoquímica Vi	Licenciatura
18	23P	Estructura Atómica y Molecular	Posgrado
19	23P	Trabajo de Investigación VI	Posgrado
20	23P	Introducción al Computo Científico	Posgrado
21	23I	Fisicoquímica Vi	Licenciatura
22	23I	Trabajo de Investigación V	Posgrado
23	22O	Estructura Atómica y Molecular	Posgrado
24	22O	Fisicoquímica Vi	Licenciatura
25	22O	Trabajo de Investigación IV	Posgrado
26	22P	Fisicoquímica Vi	Licenciatura
27	22P	Introducción a la Investigación III	Posgrado
28	22P	Proyecto Terminal II Fisicoquímica	Licenciatura
29	22P	Química Cuántica Avanzada	Posgrado
30	22P	Trabajo de Investigación III	Posgrado
31	22I	Fisicoquímica Vi	Licenciatura
32	22I	Introducción a la Investigación II	Posgrado
33	22I	Proyecto Terminal I Fisicoquímica	Licenciatura
34	22I	Trabajo de Investigación II	Posgrado

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