I²CNER Research Seeds

  • Materials / Transport / Heat
  • Underground Storage
  • Carbon Dioxide (CO₂)

Mathematical modeling,
Numerical simulation, Machine learning, DFT calculation

Nguyen, Linh Thi Hoai

Assistant Professor

Research Outline

Automatize workflow for materials discovery and research

Accelerating materials discovery process and materials informatics research based on incorporating data-driven approach and quantum chemistry computations.

Mathematical model for CO₂ geological storage

Understanding various CO₂ geological trapping mechanisms by means of mathematical models.

Research Methods and Facilities

Mathematical models/algorithms

Graph-based evolultional algorithm

　Machine learning and deep learning
First-principle calculation

DFT calculation for get insights into the chemical mechanisms

2024.07.09 Update
2024.05.09 Publish

All Research Seeds