Investigador en Materiales Computacionales — DFT, MD y ML

Placements24; Santiago de Querétaro; On-site; MXN 600,000 - 900,000; Full time

Benefits offered by this job

Health insurance

Dental insurance

Vision insurance

Retirement plans

Paid time off

Wellness programs

Job summary

Placements24 in Querétaro City, Mexico, seeks an Investigador en Ciencia de Materiales Computacional to advance our R&D team. You will apply DFT, MD, and machine learning to design novel materials with targeted properties.

You will collaborate with experimental scientists, analyze large simulation datasets, and publish results. Proficiency in Python, Fortran or C++, and HPC is essential, along with fluent Spanish communication.

Qualifications

• PhD in Materials Science, Physics, or Chemistry with computational focus.
• Minimum 3 years postdoc or industrial research experience in computational materials science.
• Experience with DFT codes (VASP/Quantum ESPRESSO) and MD packages (LAMMPS).
• Proficiency in Python, Fortran or C++.
• Experience with ML for scientific applications and HPC environments.

Responsibilities

• Perform DFT and MD simulations to study material properties.
• Develop ML models for materials design and property prediction.
• Analyze large simulation data and experimental datasets.
• Collaborate with experimental scientists to guide synthesis and characterization.
• Document findings and present results at conferences.

Skills

Python

Fortran

C++

Machine learning

High-performance computing

Analytical skills

Spanish communication

Education

PhD in Materials Science/Physics/Chemistry

Tools

VASP

Quantum ESPRESSO

LAMMPS

Job description

Placements24 in Querétaro City, Mexico, seeks an Investigador en Ciencia de Materiales Computacional to advance our R&D team. You will apply DFT, MD, and machine learning to design novel materials with targeted properties.

You will collaborate with experimental scientists, analyze large simulation datasets, and publish results. Proficiency in Python, Fortran or C++, and HPC is essential, along with fluent Spanish communication.