Publications

24850 results for Exploratory Science

TRUST-CUA: Trustworthy Computer-Using Generalist Agents for Intelligent User Interfaces
- - Segev Shlomov
  - Toby Jia-jun Li
  - et al.
- 2026
- IUI 2026
Workshop
Principled Latent-Variable Modeling Enables Efficient Conditional Molecular Design
- - Partha Suryanarayanan
  - Bc Kwon
  - et al.
- 2026
- ACS Spring 2026
Talk
Tool-Augmented AI for Drug Discovery: An Agentic Platform for Integrated Molecule Generation and Screening
- - Leili Zhang
  - Bc Kwon
  - et al.
- 2026
- ACS Spring 2026
Talk
Predicting Antibody Relative Binding Free Energies with MD-Derived Graph Neural Networks
- - Kevin Cheng
  - Jeff Weber
- 2026
- ACS Spring 2026
Talk
Assessing Chemical Foundation Models for Glycan Representation and Tasks
- - Manuel Ravasqueira
  - Joao Bettencourt-Silva
  - et al.
- 2026
- ACS Spring 2026
Poster
Embedding billion-scale molecule databases in generative model latent space enables efficient search for accessible surrogates
- - Tim Rumbell
  - Shruti Murarka
  - et al.
- 2026
- ACS Spring 2026
Poster
Designing Agentic AI Systems for Human-Guided Scientific Discovery in Computational Drug Discovery
- - Bc Kwon
  - Leili Zhang
  - et al.
- 2026
- ACS Spring 2026
Poster
Agentic AI for screening antibody:antigen binding affinity
- - Simona Rabinovici-Cohen
  - Jeff Weber
  - et al.
- 2026
- ACS Spring 2026
Poster
Electronic and magnetic properties of lanthanide atomic chains and nanostructures assembled atom-by-atom
- - Christopher Lutz
  - Gregory Czap
  - et al.
- 2026
- APS Global Physics Summit 2026
Conference paper
High-throughput search of topological materials for interconnects using first-principles transport calculations and machine learning
- - Kai Wagoner-oshima
  - Michelle Guo
  - et al.
- 2026
- APS Global Physics Summit 2026
Talk