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Our first paper in Nature Communications 😀 Didier Vega-Oliveros Moshe Frank, Manoel Cardoso, Marcos G. Quiles, Zhao, and Elbert E. N. Macau nature.com/articles/s4146…

Systematic Investigation of Error Distribution in #MachineLearning Algorithms Applied to the #Quantum_Chemistry QM9 Data Set Using the Bias and Variance Decomposition pubs.acs.org/doi/10.1021/ac… Marcos G. Quiles Ronaldo Prati #current_issue #MachineLearning

Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder pubs.acs.org/doi/10.1021/ac…

No #PontoDeVista dessa semana, Marcos G. Quiles explica a dualidade da inteligência artificial no combate às fake news. Vale a leitura! desinformante.com.br/a-dualidade-da…

Our new paper about community detection via Force-Directed algorithms is out in “Applied Mathematics and Computation”: sciencedirect.com/science/articl… With: Alessandra, Nicolás Rubido, and Elbert E. N. Macau

sbc.org.br/noticias/2412-…

Our new paper "SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning" is online - doi.org/10.1021/acs.jc… Authors: Gabriel Pinheiro, Juarez L. F. da Silva, & Marcos G. Quiles JCIM & JCTC Journals

Our new paper is out: “Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining” By Alex. S. Moraes et al. Collaoration with QTNano. doi.org/10.1021/acs.jc… JCIM & JCTC Journals

CINE Conference, 18-19th October Vitória Hotel - Campinas, SP Registration deadline Sep. 30th, 2022 Free Registration cine.org.br/conference2022/ Cine Energy

#machinelearning #chemistry Contact: [email protected]

Join us at the CINE Conference! See the full program and register at no cost: cine.org.br/en/conference2…

Não existe “pintar um clima”! Exploração sexual infantil é um tema que não pode ser tratado com “normalidade”, nem empurrado pra debaixo do tapete. Divido um pouco do que vi a aprendi sobre o combate a esse crime, quando produzi e participei do documentário “Um Crime Entre Nós”.

Attending to the 2022 CINE Conference. Just starting.... Cine Energy

Our new paper entitled "Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of Finite-Size Particles" is online. pubs.acs.org/doi/10.1021/ac… JCIM & JCTC Journals Cine Energy

my first visiting PhD student, Gabriel, arrived from Brazil yesterday! he will stay in Oregon for a year to work on a ML+materials project with me, Xiaoli Fern, and Marcos G. Quiles.

We are happy to see at the FAPESP´s science news agency the review by our researchers about in situ and operando studies that have advanced perovskite photovoltaics.📰🙂

We are presenting right now at a preconf of APSA & ICA Political Communication Divisions. Dr. Isabella Gonçalves is showing some results of a work done by our research group with Human(e)AI and FuJo on the use of visual elements by presidential candidates during the Brazilian elections 2018 and 2022.

El Gobierno de España aprueba hoy el reconocimiento oficial del Estado de Palestina. España se suma así a los más de 140 países que ya reconocen a Palestina. Se trata de una decisión histórica que tiene un único objetivo: contribuir a que israelíes y palestinos alcancen la paz.

Happy to share our newest published paper examining 11,263 Instagram posts in 2018 and 2022 Brazilian national elections! We examine the overall patters of visual communication and the changes comparing both elections. Check out for more insights! doi.org/10.1140/epjds/…