Dr. Singh is the Erwin Edward Hart Endowed Professor of Materials Science and Engineering, with an expertise in computational materials engineering. His research group focuses on atomistic and multiscale modeling of materials, using techniques such as density functional theory, molecular dynamics and machine learning. His group has contributed significantly to the design and development of graphene and other 2D materials for energy storage and structural applications. He has authored more than 100 peer-reviewed publications; including in esteemed journals such as Advanced Materials, Science Advances, Nature Catalysis, PNAS, Nature Communications, Energy & Environmental Science, JACS, Energy Storage Materials, and Nano Letters. He has also won several prestigious awards such as Ontario New Researcher Award, $1M Connaught Global Challenge (team award), Hart Professorship, and NSERC Accelerator Supplement. During last seven years at U of T, he has trained over 80 graduate students and postdoctoral researchers. He is a member of Compute Canada Resource Allocation Committee and TMS ICME committee, and actively participates in journal paper and grant reviewing at the international level.
Research Team: 10-20 trainees
Facilities: High-performance computing resources through Compute Canada; Nanoindentation system
Research
Computational design, discovery, and exploration of novel materials for energy and transportation
Computational materials science: density functional theory (DFT) and molecular dynamics (MD) simulations
Machine learning and AI enabled discovery of new materials; data sciences
Energy materials: batteries, catalysts for CO2 reduction reaction (CO2RR), HER, OER, ORR and NRR
Mechanical properties of materials: biomaterials, hierarchical materials, physical metallurgy and composites; Damage and failure of advanced engineering materials