3 papers
cond-mat.mtrl-sci2026
Property-Guided Diffusion for Inverse Design of Crystalline Materials
Sourav Mal, Subhankar Mishra, Prasenjit Sen
Diffusion-based generative models with property guidance have emerged as a promising paradigm for inverse materials design by enabling the generation of crystalline materials with…
cond-mat.mtrl-sci2026
DiffCrysGen: A Generative Diffusion Model for Accelerated Design of Inorganic Crystalline Materials
Sourav Mal, Nehad Ahmed, Junaid Jami +2
Efficient exploration of the vast chemical space is a fundamental challenge in materials design and discovery, particularly for designing functional inorganic crystalline materials…
cond-mat.mtrl-sci2025
DiffCrysGen: A Score-Based Diffusion Model for Design of Diverse Inorganic Crystalline Materials
Sourav Mal, Subhankar Mishra, Prasenjit Sen
Crystal structure generation is a foundational challenge in materials discovery, particularly in designing functional inorganic crystalline materials with desired properties. Most…