Rampi Ramprasad
- Machine learning force fields: Construction, validation, and outlook
2016/10/06 by Venkatesh Botu, Rohit Batra, Botu, Venkatesh +5 · 6 citations
Computer Science · Materials Science · #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Neural Networks and Applications #Software Engineering Research
- Polymer Informatics at Scale with Multitask Graph Neural Networks
2023/02/15 by Rishi Gurnani, Christopher Kuenneth, Aubrey Toland +1 · 6 citations
- A Simple but Effective Approach to Improve Structured Language Model Output for Information Extraction
2024/02/20 by Yinghao Li, Li, Yinghao, Rampi Ramprasad +3 · 6 citations
Computer Science · #Computation and Language (cs.CL) #FOS: Computer and information sciences #Information Retrieval (cs.IR) #Natural Language Processing Techniques #Topic Modeling
- Polymers for Extreme Conditions Designed Using Syntax-Directed\n Variational Autoencoders
2020/11/04 by Rohit Batra, Batra, Rohit, Hanjun Dai +13 · 3 citations
Computer Science · Materials Science · #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning and Algorithms #Machine Learning in Materials Science #Soft Condensed Matter (cond-mat.soft)
- PolyIE: A Dataset of Information Extraction from Polymer Material Scientific Literature
2023/11/13 by Jerry Junyang Cheung, Cheung, Jerry Junyang, Yuchen Zhuang +13 · 3 citations
Computer Science · Materials Science · Decision Sciences · #Topic Modeling #Machine Learning in Materials Science #Data Quality and Management
- Informatics-Driven Selection of Polymers for Fuel-Cell Applications
2022/12/26 by Tran Doan Huan, Kuan-Hsuan Shen, Tran, Huan +7 · 3 citations
Computer Science · Energy · Engineering · #Applied Physics (physics.app-ph) #Electrocatalysts for Energy Conversion #FOS: Physical sciences #Fuel Cells and Related Materials #Materials Science (cond-mat.mtrl-sci) #Soft Condensed Matter (cond-mat.soft) #Software System Performance and Reliability
- An Informatics Framework for the Design of Sustainable, Chemically Recyclable, Synthetically-Accessible and Durable Polymers
2024/09/13 by Joseph Kern, Yong‐Liang Su, Kern, Joseph +5 · 4 citations
Engineering · Environmental Science · #Green IT and Sustainability #Sustainable Industrial Ecology #Chemistry and Chemical Engineering
- LLM-Augmented Chemical Synthesis and Design Decision Programs
2025/05/11 by Haorui Wang, Jeff Guo, Wang, Haorui +11 · 6 citations
Materials Science · Computer Science · Environmental Science · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Chemistry and Chemical Engineering
- May the Force be with You: Unified Force-Centric Pre-Training for 3D Molecular Conformations
2023/08/24 by Rui Feng, Feng, Rui, Qi Zhu +11 · 1 citation
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Artificial Intelligence (cs.AI) #Biomolecules (q-bio.BM) #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Protein Structure and Dynamics
- POLYT5: an encoder-decoder foundation chemical language model for generative polymer design
2025/10/21 by Harikrishna Sahu, Wei Xiong, Sahu, Harikrishna +8 · 1 citation
Materials Science · Computer Science · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Advanced Graph Neural Networks