Publications

3523 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
Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning
- - Gang Liu
  - Michael Sun
  - et al.
- 2025
- ICLR 2025
Procedural Synthesis of Synthesizable Molecules
- - Michael Sun
  - Alston Lo
  - et al.
- 2025
- ICLR 2025
A Foundation Model for Simulation-Grade Molecular Electron Densities
- - Eduardo Almeida Soares
  - Dmitry Zubarev
  - et al.
- 2025
- ICLR 2025
Representing surfactants by foundation models
- - Eduardo Almeida Soares
  - Zeynep Sumer
  - et al.
- 2025
- ICLR 2025
SMI-TED: A large-scale foundation model for materials and chemistry
- 2025
- ICLR 2025
Spin Current Drift-Diffusion Transport in Common Spin-Orbit-Torque Structures
- - Jonathan Sun
- 2025
- Journal of Applied Physics
Designing an Agentic AI Assistant for Chemical Discovery
- - Siya Kunde
  - Stephanie Houde
  - et al.
- 2025
- IUI 2025
Multimodal foundation model for aligning smiles representations with DFT electron density grids
- 2025
- ACS Spring 2025