Publications

26402 results for Science

GMO-Mat: A foundation model-based generative multi-objective optimization framework for materials discovery
- - Carlos Raoni De Alencar Mendes
  - Leonardo Noia Nanci de Araujo Silva
  - et al.
- 2025
- ACS Spring 2025
Mol-Moe: A multi-view mixture-of-experts framework for molecular property prediction with SMILES, SELFIES, and graph representations
- 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
Study planning assistant: Supporting material discovery with agentic workflows
- - Viviane T. Silva
  - Renato Fontoura de Gusmao Cerqueira
  - et al.
- 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
Control of a Gel-forming Chemical Reaction Network Using Light-triggered Proton Pumps
- - Jacqueline Figueiredo da Silva
  - Ardeshir Roshanasan
  - et al.
- 2025
- Langmuir
Polymeric Giant Unilamellar Vesicles Support Longevity of Native Nuclei in Protocells
- - Lukas Heuberger
  - Arianna Balestri
  - et al.
- 2025
- Small Sci.
Extended Hubbard modelling of metal-organic-frameworks
- - Pamela Costa Carvalho
  - Federico Zipoli
  - et al.
- 2025
- APS Global Physics Summit 2025