Computational Materials & Data Analytics


Materials engineers use computation and artificial intelligence to understand fundamental materials behavior, predict performance and design next generation material systems.

Research Topics

  • Machine learning for alloy design 
  • Computational advanced manufacturing
  • Experiments and modelling of metallurgical process for designing new processes
  • Solid state reactions and computational fluid dynamics and heat transfer applied to design and optimize real industrial processes
  • Mapping the categorical form of information compositionality in materials mechanisms 
  • Discover, design, and optimize novel materials for green energy and transportation applications 
  • Alloy development of nano and amorphous electrocatalysts 

Related Faculty

Singh, Chandra Veer

Chandra Singh 

Computational Materials Engineering Lab

Photo courtesy of Anatole von Lilienfeld

Anatole von Lilienfeld

 Professor & Clark Chair of Advanced Materials at the Vector Institute


Yu Zou  

Laboratory for Extreme Mechanics & Additive Manufacturing


Glenn Hibbard 

Cellular Hybrid Materials Research Group

Thorpe, Steven J.

Steven Thorpe 

Surface Engineering & Electrochemistry (SEE) Group

Professor Jason Hattrick-Simpers has joined the Department of Materials Science & Engineering. (Photo courtesy Jason Hattrick-Simpers)

Jason Hattrick-Simpers

AUTOnomous DIscovery of ALloys (AUTODIAL)