New Group IV Chemical Motifs for Improved Dielectric Permittivity of Polyethylene. - G. Pilania; C. C. Wang; K. Wu; Nagamani Sukumar; Curt M. Breneman; G. Sotzing; Rampi Ramprasad (J. Chem. Inf. Model., 2013)

Novel Randomized Feature Selection Algorithms. - Subrata Saha; Sanguthevar Rajasekaran; Rampi Ramprasad (Int. J. Found. Comput. Sci., 2015)

Critical Assessment of the Hildebrand and Hansen Solubility Parameters for Polymers. - Shruti Venkatram; Chiho Kim; Anand Chandrasekaran; Rampi Ramprasad (J. Chem. Inf. Model., 2019)

Polymer Informatics: Current Status and Critical Next Steps. - Lihua Chen; Ghanshyam Pilania; Rohit Batra; Tran Doan Huan; Chiho Kim; Christopher Künneth; Rampi Ramprasad (CoRR, 2020)

Polymers for Extreme Conditions Designed Using Syntax-Directed Variational Autoencoders. - Rohit Batra; Hanjun Dai; Tran Doan Huan; Lihua Chen; Chiho Kim; Will R. Gutekunst; Le Song; Rampi Ramprasad (CoRR, 2020)

A charge density prediction model for hydrocarbons using deep neural networks. - Deepak Kamal; Anand Chandrasekaran; Rohit Batra; Rampi Ramprasad (Mach. Learn. Sci. Technol., 2020)

Prediction of water stability of metal-organic frameworks using machine learning. - Rohit Batra; Carmen Chen; Tania G. Evans; Krista S. Walton; Rampi Ramprasad (Nat. Mach. Intell., 2020)

Concentric Spherical GNN for 3D Representation Learning. - James Fox; Bo Zhao 028; Sivasankaran Rajamanickam; Rampi Ramprasad; Le Song (CoRR, 2021)

Copolymer Informatics with Multi-Task Deep Neural Networks. - Christopher Künneth; William Schertzer; Rampi Ramprasad (CoRR, 2021)

Machine-Guided Polymer Knowledge Extraction Using Natural Language Processing: The Example of Named Entity Normalization. - Pranav Shetty; Rampi Ramprasad (J. Chem. Inf. Model., 2021)

Polymer informatics with multi-task learning. - Christopher Künneth; Arunkumar Chitteth Rajan; Huan Tran; Lihua Chen; Chiho Kim; Rampi Ramprasad (Patterns, 2021)

Concentric Spherical Neural Network for 3D Representation Learning. - James Fox; Bo Zhao 028; Beatriz Gonzalez del Rio; Sivasankaran Rajamanickam; Rampi Ramprasad; Le Song (IJCNN, 2022)

Bioplastic Design using Multitask Deep Neural Networks. - Christopher Künneth; Jessica Lalonde; Babetta L. Marrone; Carl N. Iverson; Rampi Ramprasad; Ghanshyam Pilania (CoRR, 2022)

A general-purpose material property data extraction pipeline from large polymer corpora using Natural Language Processing. - Pranav Shetty; Arunkumar Chitteth Rajan; Christopher Künneth; Sonakshi Gupta; Lakshmi Prerana Panchumarti; Lauren Holm; Chao Zhang; Rampi Ramprasad (CoRR, 2022)

polyBERT: A chemical language model to enable fully machine-driven ultrafast polymer informatics. - Christopher Künneth; Rampi Ramprasad (CoRR, 2022)

May the Force be with You: Unified Force-Centric Pre-Training for 3D Molecular Conformations. - Rui Feng; Qi Zhu; Huan Tran; Binghong Chen; Aubrey Toland; Rampi Ramprasad; Chao Zhang (NeurIPS, 2023)

PolyGET: Accelerating Polymer Simulations by Accurate and Generalizable Forcefield with Equivariant Transformer. - Rui Feng; Huan Tran; Aubrey Toland; Binghong Chen; Qi Zhu; Rampi Ramprasad; Chao Zhang (CoRR, 2023)

A Simple but Effective Approach to Improve Structured Language Model Output for Information Extraction. - Yinghao Li; Rampi Ramprasad; Chao Zhang 014 (EMNLP (Findings), 2024)

POLYIE: A Dataset of Information Extraction from Polymer Material Scientific Literature. - Jerry Junyang Cheung; Yuchen Zhuang; Yinghao Li; Pranav Shetty; Wantian Zhao; Sanjeev Grampurohit; Rampi Ramprasad; Chao Zhang 014 (NAACL-HLT, 2024)

Accelerating materials discovery for polymer solar cells: Data-driven insights enabled by natural language processing. - Pranav Shetty; Aishat Adeboye; Sonakshi Gupta; Chao Zhang; Rampi Ramprasad (CoRR, 2024)

A Physics-Enforced Neural Network to Predict Polymer Melt Viscosity. - Ayush Jain; Rishi Gurnani; Arunkumar Rajan; H. Jerry Qi; Rampi Ramprasad (CoRR, 2024)

Design of Recyclable Plastics with Machine Learning and Genetic Algorithm. - Chureh Atasi; Joseph Kern; Rampi Ramprasad (J. Chem. Inf. Model., 2024)

polyGen: A Learning Framework for Atomic-level Polymer Structure Generation. - Ayush Jain; Rampi Ramprasad (CoRR, 2025)

LLM-Augmented Chemical Synthesis and Design Decision Programs. - Haorui Wang; Jeff Guo; Lingkai Kong; Rampi Ramprasad; Philippe Schwaller; Yuanqi Du; Chao Zhang 014 (CoRR, 2025)

MSQA: Benchmarking LLMs on Graduate-Level Materials Science Reasoning and Knowledge. - Jerry Junyang Cheung; Shiyao Shen; Yuchen Zhuang; Yinghao Li; Rampi Ramprasad; Chao Zhang 014 (CoRR, 2025)

Benchmarking Large Language Models for Polymer Property Predictions. - Sonakshi Gupta; Akhlak Mahmood; Shivank Shukla; Rampi Ramprasad (CoRR, 2025)