Publications

552 results for Accelerated Discovery

Novel LLM-powered assistant facilitating data visualization in research and education
- - Tim Erdmann
  - Holt Bui
  - et al.
- 2025
- ACS Spring 2025
ML-Guided Engineering to Enhance Cell-Organelle Capacity for Multi-Enzyme Pathway Compartmentalization
- - Jie Shi
  - Jordan Baker
  - et al.
- 2025
- ACS Spring 2025
Uncertainty Characterization of Foundation Models for Reliable Applications in Materials and Chemistry
- 2025
- ACS Spring 2025
Uncertainty Analysis of Molecular Quantum Properties Prediction Using Chemical Foundation Models
- - Siya Kunde
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Spring 2025
Integrating Molecular Dynamics Simulations and Machine Learning to Uncover Important Determinants of protein-protein Interactions
- - Tiffany Callahan
  - Kevin Cheng
  - et al.
- 2025
- ACS Spring 2025
Constructing an open database of barrier heights for diverse elementary organic reactions
- - Derek Ahneman
  - Brandi Ransom
- 2025
- ACS Spring 2025
Study planning assistant: Supporting material discovery with agentic workflows
- - Viviane T. Silva
  - Renato Fontoura de Gusmao Cerqueira
  - et al.
- 2025
- ACS Spring 2025
Polymeric Giant Unilamellar Vesicles Support Longevity of Native Nuclei in Protocells
- - Lukas Heuberger
  - Arianna Balestri
  - et al.
- 2025
- Small Sci.
High-throughput search of topological materials for interconnects using first-principles transport calculations and machine-learning
- - Michelle Kelley
  - Kai Wagoner-oshima
  - et al.
- 2025
- APS Global Physics Summit 2025
Computing bandgaps of periodic materials with a quantum processor via tight-biding projection and subspace quantum diagonalization
- - Alan Duriez
  - Pamela Costa Carvalho
  - et al.
- 2025
- APS Global Physics Summit 2025