Publications

3552 results for Materials Discovery

Enhancing UV Spectral Prediction through Auxiliary Task, Curriculum Learning, and Curvature Limitation
- - Hajime Shinohara
  - Akihiro Kishimoto
  - et al.
- 2025
- NeurIPS 2025
Conference paper
Carbon-m1: a Massive, Multi-Modal Synthetic Dataset for Complex Polymeric Materials
- - Nathaniel Park
- 2025
- NeurIPS 2025
Workshop paper
Foundation Models Enabling Multi-Scale Battery Materials Discovery: From Molecules To Devices
- - Vidushi Sharma
  - Andy Tek
  - et al.
- 2025
- NeurIPS 2025
Workshop paper
Automated Structure Elucidation at Human-Level Accuracy via a Multimodal Multitask Language Model
- - Marvin Alberts
  - Nina Hartrampf
  - et al.
- 2025
- NeurIPS 2025
Workshop paper
Capturing Long-Range Intramolecular Interactions with TDiMS for Interpretable Property Prediction
- - Lisa Hamada
  - Akihiro Kishimoto
  - et al.
- 2025
- NeurIPS 2025
Workshop paper
Language Model Enabled Structure Prediction from Infrared Spectra of Mixtures
- - Marvin Alberts
  - Filippo Ficarra
  - et al.
- 2025
- NeurIPS 2025
Workshop paper
Accelerating Material Discovery for Metal Organic Frameworks using Large Language Models
- - Sultan Alrowili
  - Mathan Kumar Eswaran
  - et al.
- 2025
- NeurIPS 2025
Workshop paper
A Large Multimodal Molecular Representation Encoder-Decoder Foundation Model for Chemistry
- - Victor Yukio Shirasuna
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- NeurIPS 2025
Workshop paper
Unclonable fluorescent tags produced on bioplastics by in-situ electron beam irradiation
- - S. Calderon V
  - L.F. Ballesteros
  - et al.
- 2025
- Mater. Today Nano
Paper
Leveraging Large Language Models for Suitability Assessment of Electrolytes for Rechargeable Batteries
- - Sina Asuka Klampt
  - Seiji Takeda
  - et al.
- 2025
- MRS Fall Meeting 2025
Conference paper