Team Skeletor at Touché 2021: Argument Retrieval and Visualization for Controversial Questions. - Kevin Ros; Carl Edwards; Heng Ji 001; Chengxiang Zhai (CLEF (Working Notes), 2021)

Text2Mol: Cross-Modal Molecule Retrieval with Natural Language Queries. - Carl Edwards; ChengXiang Zhai; Heng Ji 001 (EMNLP (1), 2021)

Translation between Molecules and Natural Language. - Carl Edwards; Tuan Manh Lai; Kevin Ros; Garrett Honke; Kyunghyun Cho; Heng Ji 001 (EMNLP, 2022)

Translation between Molecules and Natural Language. - Carl Edwards; Tuan Manh Lai; Kevin Ros; Garrett Honke; Heng Ji (CoRR, 2022)

Semi-supervised New Event Type Induction and Description via Contrastive Loss-Enforced Batch Attention. - Carl Edwards; Heng Ji (EACL, 2023)

Defining a New NLP Playground. - Sha Li; Chi Han; Pengfei Yu; Carl Edwards; Manling Li; Xingyao Wang 002; Yi Ren Fung 001; Charles Yu; Joel R. Tetreault; Eduard H. Hovy; Heng Ji 001 (EMNLP (Findings), 2023)

Monte Carlo Thought Search: Large Language Model Querying for Complex Scientific Reasoning in Catalyst Design. - Henry Sprueill; Carl Edwards; Mariefel V. Olarte; Udishnu Sanyal; Heng Ji; Sutanay Choudhury (EMNLP (Findings), 2023)

SynerGPT: In-Context Learning for Personalized Drug Synergy Prediction and Drug Design. - Carl Edwards; Aakanksha Naik; Tushar Khot; Martin D. Burke; Heng Ji 001; Tom Hope (CoRR, 2023)

GLaD: Synergizing Molecular Graphs and Language Descriptors for Enhanced Power Conversion Efficiency Prediction in Organic Photovoltaic Devices. - Thao Nguyen; Tiara Torres-Flores; Changhyun Hwang; Carl Edwards; Ying Diao; Heng Ji 001 (CIKM, 2024)

CHEMREASONER: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback. - Henry W. Sprueill; Carl Edwards; Khushbu Agarwal; Mariefel V. Olarte; Udishnu Sanyal; Conrad Johnston; Hongbin Liu; Heng Ji; Sutanay Choudhury (ICML, 2024)

Invariant Tokenization of Crystalline Materials for Language Model Enabled Generation. - Keqiang Yan; Xiner Li; Hongyi Ling; Kenna Ashen; Carl Edwards; Raymundo Arróyave; Marinka Zitnik; Heng Ji 001; Xiaofeng Qian; Xiaoning Qian; Shuiwang Ji (NeurIPS, 2024)

L+M-24: Building a Dataset for Language + Molecules @ ACL 2024. - Carl Edwards; Qingyun Wang 005; Lawrence Zhao; Heng Ji 001 (CoRR, 2024)

Geometry Informed Tokenization of Molecules for Language Model Generation. - Xiner Li; Limei Wang; Youzhi Luo; Carl Edwards; Shurui Gui; Yuchao Lin; Heng Ji 001; Shuiwang Ji (CoRR, 2024)

MolCap-Arena: A Comprehensive Captioning Benchmark on Language-Enhanced Molecular Property Prediction. - Carl Edwards; Ziqing Lu; Ehsan Hajiramezanali; Tommaso Biancalani; Heng Ji; Gabriele Scalia (CoRR, 2024)

Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems. - Xuan Zhang; Limei Wang; Jacob Helwig; Youzhi Luo; Cong Fu 003; Yaochen Xie; Meng Liu 015; Yuchao Lin; Zhao Xu 005; Keqiang Yan; Keir Adams; Maurice Weiler; et al. (Found. Trends Mach. Learn., 2025)

Class-based Subset Selection for Transfer Learning under Extreme Label Shift. - Akul Goyal; Carl Edwards (CoRR, 2025)

mCLM: A Function-Infused and Synthesis-Friendly Modular Chemical Language Model. - Carl Edwards; Chi Han; Gawon Lee; Thao Nguyen; Bowen Jin; Chetan Prasad; Sara Szymkuc; Bartosz A. Grzybowski; Ying Diao; Jiawei Han 001; Ge Liu; Hao Peng 009; et al. (CoRR, 2025)