Publications

3509 results for Materials Discovery

Surface reaction calculations with quantum computers for battery materials
- 2024
- ACS Fall 2024
Spin transmission through NiO in Pt/NiO/NM/Py heterostructure
- - Biswajit Sahoo
  - Christopher Safranski
  - et al.
- 2024
- MMM 2024
MoLMamba: A Large State-Space-based Foundation Model for Chemistry
- - Eduardo Almeida Soares
  - Victor Shirasuna
  - et al.
- 2024
- ACS Fall 2024
Dataset of Reticular Materials' Syntheses Automatically Created from PDFs by using LLMs
- 2024
- ACS Fall 2024
AI-Assisted Raman Spectral Peak Label Assignment
- 2024
- ACS Fall 2024
Impact of interface traps on charge noise and low-density transport properties in Ge/SiGe heterostructures
- - Leonardo Massai
  - Bence Hetényi
  - et al.
- 2024
- Communications Materials
Advanced Learning for Chemistry Interpretation and Integrated Molecule
- 2024
- ACS Fall 2024
Simulating Carbon Dioxide Injection, Trapping, and Storage in Digital Rock
- - Mathias Steiner
- 2024
- Interpore Brazil 2024
NLPeople at L+M-24 Shared Task: An Ensembled Approach for Molecule Captioning from SMILES
- - Shinnosuke Tanaka
  - Carol Mak
  - et al.
- 2024
- ACL 2024
Masking in Molecular Graphs Leveraging Reaction Context
- - Jiannan Yang
  - Veronika Thost
  - et al.
- 2024
- ICML 2024