Publications

3500 results for Materials Discovery

How AI can accelerate Materials Discovery for CO2 Capture
- - Mathias Steiner
- 2025
- Canadian Separations Symposium 2025
Opportunities of Scalable and Electrostatically Optimized Electrodes for Electric Field- and Current-Driven Microfluidic Applications
- - Katja-Sophia Csizi
  - Adrianna Frackowiak
  - et al.
- 2025
- Biomicrofluidics
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