Publications

24839 results for Exploratory Science

Assessing Chemical Foundation Models for Glycan Representation and Tasks
- - Manuel Ravasqueira
  - Joao Bettencourt-Silva
  - 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
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
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
Electron-spin resonance atomic force microscopy and tip-induced chemistry
- - Lisanne Sellies
  - Raffael Spachtholz
  - et al.
- 2026
- APS Global Physics Summit 2026
Talk
Quantum chemistry with provable convergence via randomized sample-based quantum diagonalization
- - Samuele Piccinelli
  - Francesco Tacchino
  - et al.
- 2026
- APS Global Physics Summit 2026
Talk
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
Electron Spin Resonance and Magnetic Resonance Imaging of the Delocalized Electron in a Lanthanide Atomic Wire
- - Gregory Czap
  - Christopher Lutz
  - et al.
- 2026
- APS Global Physics Summit 2026
Talk
Towards secondary structure prediction of longer mRNA sequences using a quantum-centric optimization scheme
- - Saurabh Shivpuje
  - Dimitris Alevras
  - et al.
- 2026
- APS Global Physics Summit 2026
Poster