21 citations · 31 across the 8 of their papers we have counts for
3 papers · 1 filter
Robust and Efficient AI Frameworks for Scalable Material Design and Property Prediction
Kishalay Das
This thesis develops robust and efficient AI frameworks for accelerating crystalline materials discovery by addressing both major stages of the materials-design pipeline: crystal p…
Model Agnostic Graph Prompt Learning for Crystal Property Prediction
Shrimon Mukherjee, Kishalay Das, Partha Basuchowdhuri +2
Graph Neural Networks have emerged as a powerful tool for the fast and accurate prediction of various crystal properties. These models often encode domain-specific knowledge into t…
Latent Diffusion Pretraining for Crystal Property Prediction
Shrimon Mukherjee, Kishalay Das, Partha Basuchowdhuri +2
Fast and accurate prediction of crystal properties is a central challenge in new materials design. Graph neural networks and Transformer-based models have emerged as powerful tools…