Pablo Leon Email & Phone Number

Paris, Fr

Gómez-Bombarelli Research Grouphttp://gomezbombarelli.mit.edu/- DOD National Defense Science and Engineering Graduate FellowMy research is on creating a computational workflow that autonomously determines the conductivity of novel polymer electrolyte systems. I am automating the end-to-end pipeline, which includes:1. generating DFT training data of molecular conformations using an in-house database, 2. predicting interatomic potential parameters using machine learning, 3. generating molecular dynamics input scripts and data files, 4. creating a condensed-phase simulation box at experimental concentrations and conditions, 5. performing the molecular dynamics simulations in LAMMPS6. computing the diffusivities, conductivity, and lithium ion transference number.Through my research, I have learned how to augment an existing codebase with new functionalities and simplified logic. I am the most senior group member in an external collaboration with industry and other research groups and have regularly provided progress updates and work with teams consisting of many nationalities and backgrounds. I am also interested in broader applications of clean energy, materials/molecule featurization for machine learning, and development of theory for mechanisms underlying materials properties as seen in the class projects below.

Cambridge, Massachusetts, United States

Compute vapor pressure of small organic molecules for fragrance applications using atomistic simulations and free energy calculations.

Computational Materials Science Lab

Studied uncertainty propagation from processing to microstructure-dependent mechanical properties

Biomechanical Environments Laboratory

- Assisted in the construction of an artificial muscular force testing system for ex-vivo canine stifle surgery testing system- Designed, modeled, and 3D printed translational distance sensor mount system to measure stifle reaction to simulated surgery- Collaborated with veterinarian surgeons to create a 27-page procedural document for improved testing system to be used by surgeons and engineers. - Participated in a 10-week NSF-funded summer program (Undergraduate Summer Research Program) which culminated in a research poster session

Polymer Nanocomposites Laboratory

Assisted in wet chemistry sample preparation, performed layer-by-layer polymer coatings, and performed contact angle and viscosity measurements which led to a peer-reviewed publication.Polyelectrolyte Complex that Minimizes Bacterial Adhesion to Polyester - https://onlinelibrary.wiley.com/doi/abs/10.1002/mame.202100579

Under Professor Karl T Hartwig

Prepared and collected Vickers hardness and stress-strain samples for mechanical characterization of tungsten heavy alloys.

Advanced Engineering Analysis Group

Investigated the internal capabilities of commercial software for imperfect interface bonding on composite-level mechanical properties through AbaqusPresented poster of findings to former lab directors, group leaders, and lab employees at summer internship research symposium

Doctor Of Philosophy - Phd, Materials Science

Bachelor'S Degree, Mechanical Engineering