Publications

3498 results for Materials Discovery

Discovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNets
- - Flaviu Cipcigan
  - Jonathan Booth
  - et al.
- 2023
- NeurIPS 2023
Capturing Formulation Design of Battery Electrolytes with Chemical Large Language Model
- - Eduardo Almeida Soares
  - Vidushi Sharma
  - et al.
- 2023
- NeurIPS 2023
Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models
- - Marvin Alberts
  - Federico Zipoli
  - et al.
- 2023
- NeurIPS 2023
Characterizing pre-trained and task-adapted molecular representations
- - Celia Cintas
  - Payel Das
  - et al.
- 2023
- NeurIPS 2023
Language models in molecular discovery
- - Nikita Janakarajan
  - Tim Erdmann
  - et al.
- 2023
- NeurIPS 2023
Ferroelectric Hafnia Superlattices for Bio-Inspired Computing
- - Laura Bégon-Lours
  - Elisabetta Morabito
  - et al.
- 2023
- MRS Fall Meeting 2023
Multi-Modal Foundation Model for Material Discovery with Conversational User Interface
- - Seiji Takeda
  - Akihiro Kishimoto
  - et al.
- 2023
- MRS Fall Meeting 2023
Pre-Treatment Methods for Machine Learning in Finer UV Spectrum Inference
- - Hajime Shinohara
  - Indra Priyadarsini S
  - et al.
- 2023
- MRS Fall Meeting 2023
In-silico Polymer Generation using fine-tuned Regression Transformers with Open Reference Data
- - Ronaldo Giro
  - Hsiang Han Hsu
  - et al.
- 2023
- MRS Fall Meeting 2023
Enzeptional: enzyme optimization via a generative language modeling-based evolutionary algorithm
- - Yves Gaetan Nana Teukam
  - Federico Zipoli
  - et al.
- 2023
- MRS Fall Meeting 2023