Double BSc in Physics and Chemistry
2020 - 2025
Autonomous University of Barcelona
Despite only being a BSc graduate, I have had the great opportunity to engage in cutting-edge research regarding two different perspectives of Physical Modeling. On the one hand, I’ve been working with Machine Learning Interatomic Potentials, a novel AI-driven technique with promising future in the field of molecular simulation. Particularly, my research focuses on the study of the physical foundation of these models and their physical adequacy regarding their applicability to molecular simulations.
On the other hand, I have been able to apply my theoretical knowledge on quantum chemistry and molecular simulation techniques to biochemical systems. Particularly, I’ve worked on the study of human inflammatory pathways through a molecular simulation perspective, ultimately aiming to develop new highly-tageted drugs.
Further information on my research and these projects can be found in the Projects tab. For further information do not hessitate to contact me!
The variety of programming languages and ML packages and modeling tools is listed briefly below.
| Field | Tools |
|---|---|
| Scripting | Python (Numpy, Scipy, Pandas, Sympy, Matplotlib, etc.)・BASH・SLURM・Git |
| ML | TensorFlow・MLIP potentials (UMA, MACE, ANI, ORB) |
| Quantum Chemistry | Gaussian・GaussView・ChemShell (QM/MM) |
| Molecular Simulation | AMBER・GROMACS・GOLD Docking・UCSF Chimera・PyMol・VMD |
Beyond my interest in Theoretical Chemistry and Computational Modeling, I also enjoy learning languages in my spare time. My current proficiency for each of them is listed below. On a general cultural note, after learning Japanese and completing several stays studying abroad, I can state I am deeply committed to the exchange of different cultures and languages.
| Language | Proficiency | |
|---|---|---|
| Spanish | Native speaker | |
| Catalan | Native speaker | |
| English | CEFR C2 | |
| Japanese | JLPT N2 (CEFR B2) |
This is a list of my published work and preprints.
Important areas such as material design, drug discovery and catalysis rely on modeling the system as set of interacting atoms. Knowledge of these interactions is crucial to …
The functional properties of nanocrystals can be finely tuned through controlled morphology and size. However, this can be challenging for metastable nanostructures that require …
