Publications

28 results at ACS Spring 2025

Quantum-centric supercomputing: a new computational framework for chemistry
- - Jay Gambetta
- 2025
- ACS Spring 2025
Enhancing Control and Speed in Anionic Ring-Opening Polymerization: A Continuous-Flow Ap-proach for Rapid, Well-Defined Polymers in Milliseconds
- - Tim Erdmann
  - Pedro Arrechea
  - et al.
- 2025
- ACS Spring 2025
Organic catalysis: enabling functional and biodegradable polycarbonates for drug-resistance solutions
- - James Hedrick
  - Nathaniel Park
  - et al.
- 2025
- ACS Spring 2025
Evolution of catalysis at IBM: From microelectronics to biomedicine to sustainability with AI-driven innovation
- - James Hedrick
  - Tim Erdmann
  - et al.
- 2025
- ACS Spring 2025
Mitigating AI ethical issues in scientific process by supporting knowledge triangulation and AI limitation awareness
- - Juliana Jansen Ferreira
  - Vinicius Segura
  - et al.
- 2025
- ACS Spring 2025
Modeling electron density grids using a 3D VQ-GAN approach
- - Dmitry Zubarev
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Spring 2025
Automated tools for FAIRness assessment considering Chemical Digital Objects
- - Leonardo Guerreiro Azevedo
  - Viviane T. Silva
  - et al.
- 2025
- ACS Spring 2025
Sample-based quantum diagonalization for electronic structure on quantum-centric supercomputers
- - Mario Motta
- 2025
- ACS Spring 2025
Multimodal foundation model for aligning smiles representations with DFT electron density grids
- - Emilio Ashton Vital Brazil
  - Eduardo Almeida Soares
  - et al.
- 2025
- ACS Spring 2025
Uncertainty Characterization of Foundation Models for Reliable Applications in Materials and Chemistry
- - Emilio Ashton Vital Brazil
  - Priscilla Barreira Avegliano
  - et al.
- 2025
- ACS Spring 2025