Improving structural plausibility in diffusion-based 3D molecule generation via property-conditioned training with distorted molecules
- Lucy Vost
- Vijil Chenthamarakshan
- et al.
- 2025
- Digital Discovery
Paper
Publications
14467 results for Physical Sciences
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
Invited talkSample-based quantum diagonalization for electronic structure on quantum-centric supercomputers
- Mario Motta
- 2025
- ACS Spring 2025
TalkAliphatic Polycarbonates: From Functional Platform Materials to Foundation Models
- 2025
- ACS Spring 2025
TalkPFACTS: Faster solutions for forever chemicals
- Dan Sanders
- Brandi Ransom
- et al.
- 2025
- ACS Spring 2025
TalkChemChat | Democratizing Access to Domain-Specific AI/ML through LLM-powered Conversa-tional Assistants
- 2025
- ACS Spring 2025
TalkGenerative AI and Multi-Agent Systems for Polymer Design
- Nathaniel Park
- Tiffany Callahan
- et al.
- 2025
- ACS Spring 2025
TalkConstructing an open database of barrier heights for diverse elementary organic reactions
- 2025
- ACS Spring 2025
PosterPolymeric Giant Unilamellar Vesicles Support Longevity of Native Nuclei in Protocells
- Lukas Heuberger
- Arianna Balestri
- et al.
- 2025
- Small Sci.
PaperA route toward the on-surface synthesis of organic ferromagnetic quantum spin chains
- Fabian Paschke
- Ricardo Ortiz
- et al.
- 2025
- DPG Spring Meeting 2025
Talk