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Python
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MATLAB
Wolfram
TeX
HTML
C
Fortran
Curriculum Vitae
Profile
PhD in Physics (Universidad Mayor, Chile) and researcher in multiscale modeling of nanomaterials and quantum computing applied to molecular chemistry. Member of the Moleqlas group (QuDIT, PUC Chile).
ORCID: 0000-0002-9556-4831
GitHub: github.com/Dacastillo
LinkedIn: linkedin.com/in/esdacastillo
Education
PhD in Physics
Thesis: Multiscale modeling of 2D nanomaterials and vdW heterostructures.
Fellowships and competitive funding.
BSc in Physics
Bicentenario Scholarships and UC Academic Excellence.
Graduated with 2 distinction votes.
Academic Certificate in Secondary Education
Bicentenario Scholarships and UC Academic Excellence.
Bachelor in Physics
Bicentenario Scholarships and UC Academic Excellence.
Research Experience
Researcher / Postdoctoral Fellow
Quantum computing applied to molecular simulation: VQE, compact ansätze, thermal/Gibbs states.
Qiskit Python Jupyter
Researcher in Computational Nanomaterials
Multiscale modeling of 2D materials (hBN, graphene, vdW heterostructures).
Machine-learning interatomic potentials (MLIP, Behler-Parrinello / AMP).
Molecular dynamics with LAMMPS, DFT with GPAW / Quantum ESPRESSO / ORCA.
Research Associate
Bibliographic research on Digital Modulation in Mining Communications.
Technical Advisor
Development of open-source software for laboratory instrument control.
Teaching Assistant Coordinator - Linear Algebra
Student and TA mentoring, exam coordination, substitute instructor.
Physics Lab Teaching Assistant
Experimental activities supervision, final reports review.
Simulation Programmer
Numerical simulation and graphics in Fortran for graphene plates and honeycomb atomic networks.
Electricity and Magnetism Lab TA
Experimental activities supervision, final reports review.
Electricity and Magnetism Course TA
Problem-solving sessions, exam grading.
Technical Skills
Simulation
LAMMPS
GPAW
Quantum ESPRESSO
ORCA
Quantum Computing
Qiskit
VQE
PennyLane
Data Analysis
pandas
NumPy
SciPy
matplotlib
ggplot2
tidyverse
Systems
Linux
Git
HPC (SLURM)
Docker
Languages
Spanish (native)
English (advanced)
Portuguese (intermediate)
Professional Development
Mathematical Physics Workshop: Noncommutative Topics
Sin Límites Program, Innovation Center
Featured Projects
- MLIP pipeline for hBN under deformation (GPAW → AMP, active learning)
- R-based bibliometric system for AI applied to reaction simulation (OpenAlex, Semantic Scholar)
- LAMMPS audit agent with Claude Code
- VQE with compact ansätze in Qiskit
- CoastSat applied to Chilean coastlines (Shore-Test)
Other languages: Español · Versão em português