Publications

3552 results for Materials Discovery

Single-step deep reactive ion etch of silicon for through-via applications with alternative gas mixtures
- - Richa Agrawal
  - Nathan Marchack
  - et al.
- 2025
- Journal of Vacuum Science and Technology A Vacuum Surfaces and Films
Paper
Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning
- - Gang Liu
  - Michael Sun
  - et al.
- 2025
- ICLR 2025
Conference paper
Procedural Synthesis of Synthesizable Molecules
- - Michael Sun
  - Alston Lo
  - et al.
- 2025
- ICLR 2025
Conference paper
A Foundation Model for Simulation-Grade Molecular Electron Densities
- - Eduardo Almeida Soares
  - Dmitry Zubarev
  - et al.
- 2025
- ICLR 2025
Workshop paper
Representing surfactants by foundation models
- - Eduardo Almeida Soares
  - Zeynep Sumer
  - et al.
- 2025
- ICLR 2025
Workshop paper
SMI-TED: A large-scale foundation model for materials and chemistry
- - Eduardo Almeida Soares
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ICLR 2025
Workshop paper
Spin-current drift-diffusion transport in common spin-orbit-torque structures
- - J.Z. Sun
- 2025
- Journal of Applied Physics
Paper
Designing an Agentic AI Assistant for Chemical Discovery
- - Siya Kunde
  - Stephanie Houde
  - et al.
- 2025
- IUI 2025
Workshop paper
Heterogeneous Multitask Learning Across the Chemical Space
- - Thiago Reschutzegger
  - Yann Amado
  - et al.
- 2025
- ACS Spring 2025
Talk
Mol-Moe: A multi-view mixture-of-experts framework for molecular property prediction with SMILES, SELFIES, and graph representations
- - Victor Yukio Shirasuna
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Spring 2025
Talk