Guillermo Vazquez

Computational Materials Scientist

Materials Solutions from a Computational Science front: Ab initio Simulations, Data Science and Machine Learning.

  • I am a dedicated and experienced computational material scientist with a passion for Materials Discovery. Over the past 6+ years, I have grown my skills in materials simulations and data analytics, allowing me to contribute significantly to the field.
  • My expertise extends to Density Functional Theory (DFT), enabling me to tackle complex material properties and behaviors.
  • 8+ years of experience on Python and computational science most popular modules such as: scikit-learn, pandas, Tensorflow, etc. Dexterity in any programming language for computational science (Matlab, C++, javascript, R, FORTRAN, etc.).
  • Fast growing author in academia, with more than a 100 citations, 7 peer-reviewed (3 first author) journal publications during my PhD. Expected to publish 4 more (1 first author) during my last year.

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Academic CV PDF picture_as_pdf Resume PDF picture_as_pdf
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About

I am a Ph.D. candidate in my final year, set to graduate in August 2024. I am seeking opportunities in Materials Design and Discovery, with a focus on computational methods.

science
Simulations

Density Functional Theory, Molecular Dynamics and CALPHAD simulations.

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Data Science

Database engineering and data analysis for high dimensional spaces. Feature Engineering for Materials Design.

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Machine Learning

Regression, Classification and Optimization frameworks for Materials Design.

Projects and Publications

...go to my Google Scholar

View some of my latest projects

Project 1
ML Model for Elastic Constants Estimation
DFT
ML
SISSO
Feature Analysis

article Article code Source Code
Project 2
DNN Regressor for Phase Constitution Estimation
CALPHAD
ML
DNN
Swarm Opt
BOpt

article Article code Source Code
Project 3
Stacking Fault Energy in FCC HEAs
CALPHAD
DFT
ML
GPR
SVR
SISSO

article Article See more...
Project 4
Chemical Ordering in High Entropy Materials
High-Throughput
DFT
Cluster Expansion
Monte Carlo Simulation

Monte Carlo calculation of ordering temperature in High Entropy Systems.

article Article code Source Code See more...
Project 5
Machine-learning for the design of rare-earth compounds
ML
SISSO
DFT

article Article

Education

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Texas A&M University

Aug. 2019 - May 2024

PhD in Materials Science & Engineering.

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Autonomous University of Queretaro

Aug. 2013 - Aug 2018

B.S. Nanotechnology Engineering

Professional Development and Certifications

Awards and Honors

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Outstanding Teacher

Department of Materials Science & Engineering Awards for my outstanding work as a TA in the MSEN 210 Course.

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D3EM Certificate Program Recipient

Accepted for the Data‑Enabled Discovery and Design of Energy Materials (D3EM) Certificate.

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Youth of Excellence

Prestigious Scholarship awarded to the brightest students in their undergrad class.

Contact me

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