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The #LatinxChem Twitter Poster Contest

For the past few weeks, some chemists of the worldwide Latinx community have been cooking an online project devoted to showcase the important contributions to chemistry made by workers, students, and researchers from Latinamerican origin.

The result is the #LatinXChem Twitter Poster Contest which will take place 7th September during a 24 hour span and the corresponding Twitter account @latinxchem (go follow it now! I’ll wait right here.)

All chemists from Latinx origin are called to participate by registering their posters in our website before August 25th. Upon registration, each poster should be classified into one of the eleven categories available and use the corresponding hashtag during the event (e.g. #LatinxchemTheo for the readers of this blog), in which prominent Latinx chemist will serve as reviewers and cast their votes for the best one in each category. Some prizes will be available, thanks to our kind sponsors (RSC, Chemical Science, ACS, Carbomex, The Brazilian Chemical Society, and more to come), but just for those registered works; if anyone wishes to present a poster without being registered at the website they can do so but eligibility for prizes remain for those who complete the register. Official languages for the poster are Spanish, Portuguese, and English.

Each category is organized by young prominent Latinx chemists; for the particular case of Computational Chemistry –the recurring theme of this blog– Prof. Fernanda Duarte (@fjduarteg) from Chile now working at Oxford University in the UK and yours truly (@joaquinbarroso) will be in charge of the #LatinXChemTheo section. Please check the website to learn about the other sections and the wonderful people working hard in the organizing committee (see below for the full list of the organizers and their Twitter handles).

The main goal of the event is to celebrate and showcase the espectacular research, education, and innovation brought to chemistry by a large and vibrant community dispersed throughout the globe of Latinx identification. We want to celebrate diversity by showcasing our contributions in the context of a global science interconnected with people from other groups.

So please visit our website, help us spread the word and get those posters ready, we’re eager to read, comment, Tweet and Retweet your work and show the world the drive and passion of Latinxs for chemistry, knowledge, and the betterment of the world through science.

Go follow us all and of course @LatinXchem too!

¡Gracias! Obrigado! Thank you!

Gabriel Merino Cinvestav Mérida, México @theochemmerida
Miguel A. Méndez-Rojas UDLAP, México @nanoprofe
Joaquín Barroso UNAM, México @joaquinbarroso
Javier Vela Iowa State University, USA @vela_group
Diego Solís-Ibarra UNAM, México @piketin
Braulio Rodríguez-Molina UNAM, México @MolinaGroup
Paula X. García-Reynaldos Science Communicator, México @paux_gr
Liliana Quintanar Cinvestav Zacatenco, México @lilquintanar
María Gallardo-Williams North Carolina State University, USA @Teachforaliving
Fernanda Duarte University of Oxford, UK @fjduarteg
Yadira Vega Tec de Monterrey, México @yivega
Gabriel Gomes University of Toronto, Canadá @gpassosgomes
Luciana Oliveira UNICAMP, Brasil @LuBruGonzaga
Cesar A. Urbina-Blanco Ghent University, Belgium @cesapo
Ariane Nunes HITS, Germany @anunesalves
Walter Waldman Brazil, @waldmanlab

XVI Mexican Meeting on Phys.Chem.

A yearly tradition of this Comp.Chem. lab and many others throughout our nation is to attend the Mexican Meeting on Theoretical Physical Chemistry to share news, progress and also a few drinks and laughs. This year the RMFQT was held in Puebla and although unfortunately I was not able to attend this lab was proudly represented by its current members. Gustavo Mondragón gave a talk about his progress on his photosynthesis research linking to the previous work of María Eugenia Sandoval already presented in previous editions; kudos to Gustavo for performing remarkably and thanks to all those who gave us their valuable feedback and criticism. Also, five posters were presented successfully, I can only thank the entire team for representing our laboratory in such an admirable way, and a special mention to the junior members, I hope this was the first of many scientific events they attend and may you deeply enjoy each one of them.

Among the invited speakers, the RMFQT had the honor to welcome Prof. John Perdew (yes, the P in PBE); the team took the opportunity of getting a lovely picture with him.

Here is the official presentation of the newest members of our group:

Alejandra Barrera (hyperpolarizabilty calculations on hypothetical poly-calyx[n]arenes for the search of NLO materials)


Fernando Uribe (Interaction energy calculations for non-canonical nucleotides)


Juan Guzmán (Reaction mechanisms calculations for catalyzed organic reactions)


We thank the organizing committee for giving us the opportunity to actively participate in this edition of the RMFQT, we eagerly await for next year as every year.


WATOC 2017

Last week the WATOC congress in Munich was a lot of fun. Our poster on photosynthesis had a great turnout and got a lot of positive feedback as well as many thought provoking questions. One of the highlights of my time there was seeing my former students and knowing they’re all leading successful and happy grad-student lives in Europe, I’m so very proud of them. It was great to connect with old friends and making new ones; a big thank you to all the readers of this little blog who took the time to come and say hi, I’m very glad the blog has been helpful to you.

Better recounts of WATOC 2017 can be found in the great Rzepa’s blog here and here.

Below there is an image of our poster (some typos persist).


See you all in 2020!

Mexican Phys.Chem. Meeting XVth edition 

For the fifth year in a row my research group has participated in this traditional meeting on theoretical and computational chemistry, now at the beautiful city of Merida in southeastern Mexico.

Several distinguished international guests included Profs. Jose Luis Mendoza (Florida State University), Adrián Roitberg (University of Florida), Vincent Ortiz (Auburn University) and Paul Ayers (McMaster U. Canada); Their contributions rounded up nicely those of household names like Drs. Alberto Vela, Gabriel Merino (CINVESTAV) (the latter was also the main organizer), Jesus Hernández-Trujillo (UNAM), Jose Luis Gazquez (UAM-I), Óscar Jimenez (Guanajuato), and so many others who were also present.

My students presented four posters summarized below:

1) Maru Sandoval and Gustavo Mondragón on Photosynthesis, particularly the search for exciton transference mechanisms in both natural and theoretical arrangements of photosynthetic pigments. Some very exciting results have been observed; their publication is really near.

2) Raúl Torres and Gustavo Mondragón presented their work on arsenic removing calixarenes, published earlier this year, and the extension of said work to As(III) acids. Graphene oxide is now considered in our simulations as per the experimental work of our colleagues, Prof. Reyes Sierra and Prof. Eddie Lopez-Honorato.

3) Marco Diaz, Guillermo Caballero, Gustavo Mondragón and Raúl Torres had this poster on the calculation of sigma holes as descriptors for predicting pka values in organic acids. Their +1600 calculations project has found the best levels of theory (and ruled out some like B3LYP, of course) with some nice correlations. Yet, much work is still to be done but we’re on the right track.

4) Durbis Castillo presented his work on molecular docking and dynamics of a large library of HIV-1 entry inhibitors for which he uses the suite MAESTRO as a continuation of another project of ours. His enormous library is now in the hundredths of thousands and although we’re facing some technical difficulties, Durbis is thriving in his search. This is our first serious attempt towards a more mature drug discovery project; a manuscript should be ready in the first part of next year.

This guys and the rest of the lab who weren’t present are the ones who make our research flourish and they’ve all earned a day or two at the beach!

Here’s to fifteen more years of RMFQT!

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