- Company Name
- Futurewei Technologies, Inc.
- Job Title
- Intern, Computational Material
- Job Description
-
**Job Title:** Intern, Computational Material
**Role Summary:**
Assist in advanced research applying artificial intelligence and machine learning to computational chemistry and materials science. Develop, implement, and maintain simulation and ML pipelines (DFT, MD, neural networks) to solve material‑science problems and contribute to scholarly publications.
**Expectations:**
- Work collaboratively on interdisciplinary projects, integrating physics, chemistry, and computer science.
- Demonstrate initiative in exploring ML feasibility, data requirements, and methodological choices.
- Produce clear documentation, reports, and manuscript drafts for peer‑review.
**Key Responsibilities:**
- Design and code ML/DL models (PyTorch, TensorFlow) and simulation scripts in Python.
- Perform DFT and MD calculations using standard packages (VASP, Quantum ESPRESSO, LAMMPS).
- Build and optimize ML pipelines, evaluate models, and interpret results.
- Integrate GPU/HPC resources and optimize performance for large‑scale simulations.
- Prepare technical reports, conference abstracts, and journal manuscripts.
- Collaborate with senior researchers to refine research questions and experimental designs.
**Required Skills:**
- Proficiency in Python and libraries: NumPy, Pandas, SciPy, scikit‑learn.
- Experience with ML/DL frameworks (PyTorch, TensorFlow) and graph neural networks.
- Knowledge of DFT and MD simulation techniques.
- Familiarity with HPC clusters, GPU programming, and performance tuning.
- Strong analytical and problem‑solving abilities.
- Excellent written and verbal communication; ability to publish scientific work.
**Required Education & Certifications:**
- Master’s degree, Ph.D., or Ph.D. candidate in Computer Science, Materials Science, Chemistry, Physics, or a related field.
- No additional certifications required, but knowledge of ML toolboxes and simulation software is essential.