Publications

3497 results for Materials Discovery

Procedural Synthesis of Synthesizable Molecules
- - Michael Sun
  - Alston Lo
  - et al.
- 2025
- ICLR 2025
Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning
- - Gang Liu
  - Michael Sun
  - et al.
- 2025
- ICLR 2025
A Foundation Model for Simulation-Grade Molecular Electron Densities
- - Eduardo Almeida Soares
  - Dmitry Zubarev
  - et al.
- 2025
- ICLR 2025
SMI-TED: A large-scale foundation model for materials and chemistry
- 2025
- ICLR 2025
Representing surfactants by foundation models
- - Eduardo Almeida Soares
  - Zeynep Sumer
  - et al.
- 2025
- ICLR 2025
Designing an Agentic AI Assistant for Chemical Discovery
- - Siya Kunde
  - Stephanie Houde
  - et al.
- 2025
- IUI 2025
Open-source large-scale foundation model for chemistry
- 2025
- ACS Spring 2025
PFACTS: Faster solutions for forever chemicals
- - Dan Sanders
  - Brandi Ransom
  - et al.
- 2025
- ACS Spring 2025
Multimodal foundation model for aligning smiles representations with DFT electron density grids
- 2025
- ACS Spring 2025
GMO-Mat: A foundation model-based generative multi-objective optimization framework for materials discovery
- - Carlos Raoni De Alencar Mendes
  - Leonardo Noia Nanci de Araujo Silva
  - et al.
- 2025
- ACS Spring 2025