Challenges in Materials Discovery - Synthetic Generator and Real Datasets. - Ronan Le Bras 001; Richard Bernstein; John M. Gregoire; Santosh K. Suram; Carla P. Gomes; Bart Selman; R. Bruce van Dover (AAAI, 2014)

Pattern Decomposition with Complex Combinatorial Constraints: Application to Materials Discovery. - Stefano Ermon; Ronan Le Bras 001; Santosh K. Suram; John M. Gregoire; Carla P. Gomes; Bart Selman; Robert Bruce van Dover (AAAI, 2015)

Phase-Mapper: An AI Platform to Accelerate High Throughput Materials Discovery. - Yexiang Xue; Junwen Bai; Ronan Le Bras 001; Brendan Rappazzo; Richard Bernstein; Johan Bjorck; Liane Longpre; Santosh K. Suram; Robert Bruce van Dover; John M. Gregoire; Carla P. Gomes (AAAI, 2017)

Relaxation Methods for Constrained Matrix Factorization Problems: Solving the Phase Mapping Problem in Materials Discovery. - Junwen Bai; Johan Bjorck; Yexiang Xue; Santosh K. Suram; John M. Gregoire; Carla P. Gomes (CPAIOR, 2017)

Phase Mapper: Accelerating Materials Discovery with AI. - Junwen Bai; Yexiang Xue; Johan Bjorck; Ronan Le Bras 001; Brendan Rappazzo; Richard Bernstein; Santosh K. Suram; Robert Bruce van Dover; John M. Gregoire; Carla P. Gomes (AI Mag., 2018)

BEEP: A Python library for Battery Evaluation and Early Prediction. - Patrick K. Herring; Chirranjeevi Balaji Gopal; Muratahan Aykol; Joseph H. Montoya; Abraham Anapolsky; Peter M. Attia; William Gent; Jens S. Hummelshøj; Linda Hung; Ha-Kyung Kwon; Patrick Moore; Daniel Schweigert; et al. (SoftwareX, 2020)

UniMat: Unifying Materials Embeddings through Multi-modal Learning. - Janghoon Ock; Joseph H. Montoya; Daniel Schweigert; Linda Hung; Santosh K. Suram; Weike Ye (CoRR, 2024)

XxaCT-NN: Structure Agnostic Multimodal Learning for Materials Science. - Jithendaraa Subramanian; Linda Hung; Daniel Schweigert; Santosh K. Suram; Weike Ye (CoRR, 2025)