Materials Quest

Materials Quest Research Group is a computational materials science provider operating under the academic services of Suranaree University of Technology. It supports academic groups and industry research and development teams with defined computational projects, helping answer materials questions before laboratory testing. Its work focuses on electrode materials, catalysts, and two-dimensional materials.

Services include density functional theory calculations for electronic structure, formation energies, and defects; machine-learning-accelerated screening of candidate structures and compositions; custom, reproducible workflows; and training and research collaboration. The group also develops machine-learned interatomic potentials for larger-scale simulations and uses interpretable machine learning, including SHAP analysis, to identify factors driving model predictions. Its research examples span battery anodes and cathodes, ion transport, thermal and electrochemical catalysis, hydrogen storage, and materials discovery.

Engagements are scoped to fixed deliverables, such as reports, datasets, or ranked candidate lists. Typical projects take two to six weeks, with results provided alongside figures and raw files, and code where relevant.