Cristina E. González Espinoza

Simulation Neuroscience
Data and Knowledge Engineering


Cristina E. González Espinoza is a Data Integration Specialist within the Data and Knowledge Engineering team in the Simulation Neuroscience Division.

She curates and integrates experimental and literature scientific datasets in the Blue Brain Knowledge Graph and 3D brain atlases, while ensuring that their quality meets Blue Brain’s scientific requirements. This work includes defining processes and workflows for the acquisition, validation and integration of datasets, as well as the implementation of quality and integrity metrics required for the Blue Brain scientific roadmap.

Before joining Blue Brain in 2022, Cristina was a postdoctoral researcher in the Physical-Chemistry Department at the University of Geneva where she focused on Theoretical Chemistry, particularly on developing, implementing, and testing multi-scale models based on the Frozen-Density Embedding Theory (FDET). During that time, she contributed to the development of the FDET module inside the quantum chemistry program Q-Chem

Cristina holds a Ph.D. in Chemistry, from McMaster University in Canada, and a Bachelors in Science (Chemistry) from Universidad Autónoma del Estado de Morelos, Cuernavaca, México.

In addition, Cristina was the recipient of the Russell Bell Travel Award, Department of Chemistry and Chemical Biology, McMaster University, Canada (2017), the International Excellence Award, School of Graduate Studies, McMaster University, Canada (2016), the MITACS Globalink Research Award – Sorbonne Universités (2014) and the CONACyT Fellowship for doctoral studies (2013 – 2017).

Cristina is the socialization coordinator of the Spanish-language digital magazine for chemistry communication “Quimiofilia” .  In her spare time, she plays soccer and often joins the women’s University of Geneva futsal practice. A music lover, Cristina plays several string instruments and particularly favors her ukulele, Hou.

Selected Publications

C. E. González-Espinoza, P. W. Ayers, J. Karwowski, A. Savin, Smooth models for the Coulomb potential. Theor. Chem. Acc. 135-256 (2016).

Evgeny Epifanovsky et al., Software for the frontiers of quantum chemistry: An overview ofdevelopments in the Q-Chem 5 package, J. Chem. Phys. 155, 084801 (2021).

E. Polak, C. E. González-Espinoza, M. J. Gander, T. A. Wesolowski, A non-decomposable approximationon the complete density function space for the non-additive kinetic potential, J. Chem. Phys.,156, 044103 (2022).

C. E. González-Espinoza, C. A. Rumble, D. Borgis, T. A. Wesoloswki, Quantifying Fluctuations of Average Environments for Embedding Calculations, J. Chem. Theory Comput. 18, 2, 1072-1088 (2022).