13 citations · 19 across the 10 of their papers we have counts for
3 papers · 1 filter
Load-dependent Hardness Prediction for Materials using Machine Learning
Madhubanti Mukherjee, Rampi Ramprasad, Harikrishna Sahu
Superhard materials are critical for wear-resistant and high-stress applications. Conventional approaches correlating hardness with elastic moduli derived from DFT calculations ena…
On-the-Fly Machine-Learned Force Fields for High-Fidelity Polymer Glass Transition Simulations
Ashutosh Srivastava, Sakshi Agarwal, Shivank Shukla +2
Predicting polymer glass transition temperatures (Tg) with first-principles fidelity has long remained out of reach, as cooling multi-thousand-atom systems over a broad temperature…
An Encoder-Decoder Foundation Chemical Language Model for Generative Polymer Design
Harikrishna Sahu, Wei Xiong, Anagha Savit +2
Traditional machine learning has advanced polymer discovery, yet direct generation of chemically valid and synthesizable polymers without exhaustive enumeration remains a challenge…