Publications

3555 results for Materials Discovery

Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models
- - Marvin Alberts
  - Federico Zipoli
  - et al.
- 2023
- NeurIPS 2023
Workshop paper
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network
- - Akihiro Kishimoto
  - Hiroshi Kajino
  - et al.
- 2023
- NeurIPS 2023
Workshop paper
Ferroelectric Hafnia Superlattices for Bio-Inspired Computing
- - Laura Bégon-Lours
  - Elisabetta Morabito
  - et al.
- 2023
- MRS Fall Meeting 2023
Invited talk
Pre-Treatment Methods for Machine Learning in Finer UV Spectrum Inference
- - Hajime Shinohara
  - Indra Priyadarsini S
  - et al.
- 2023
- MRS Fall Meeting 2023
Talk
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
Talk
Multi-Modal Foundation Model for Material Discovery with Conversational User Interface
- - Seiji Takeda
  - Akihiro Kishimoto
  - et al.
- 2023
- MRS Fall Meeting 2023
Talk
Enzeptional: enzyme optimization via a generative language modeling-based evolutionary algorithm
- - Yves Gaetan Nana Teukam
  - Federico Zipoli
  - et al.
- 2023
- MRS Fall Meeting 2023
Poster
Reverse Washburn dynamics induces flow acceleration during capillary filling
- - S. Castonguay
  - Yuksel Temiz
  - et al.
- 2023
- Physics of Fluids
Paper
Formulation Graphs for Mapping Structure-Composition of Battery Electrolytes to Device Performance
- - Vidushi Sharma
  - Maxwell Giammona
  - et al.
- 2023
- J. Chem. Inf. Model.
Paper
An Integrated Modeling Framework for Screening CO2 Capture Materials
- - Yogesh Joshi
  - Ashish Mhadeshwar
  - et al.
- 2023
- AIChE 2023
Short paper