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
Publications
553 results for Accelerated Discovery
Exploring quantum computing for materials discovery in direct air capture applications
- 2025
- APS Global Physics Summit 2025
Extended Hubbard modelling of metal-organic-frameworks
- Pamela Costa Carvalho
- Federico Zipoli
- et al.
- 2025
- APS Global Physics Summit 2025
Foundation models for materials discovery – current state and future directions
- Edward Pyzer-knapp
- Matteo Manica
- et al.
- 2025
- npj Computational Materials
Agentic Mixture-of-Workflows for Multi-Modal Chemical Search
- Tiffany Callahan
- Nathaniel Park
- et al.
- 2025
- arXiv
Quantum convolutional neural networks to optimize the design of synthetic immune cells
- 2025
- AI Festival 2025
TDiMS : A Topological Distance based Intra-Molecular Substructure Descriptor for Improved Machine Learning Predictions
- 2025
- AAAI 2025
LLM-Fusion: A Novel Multimodal Fusion Model for Accelerated Material Discovery
- Onur Boyar
- Indra Priyadarsini S
- et al.
- 2025
- AAAI 2025
Uncertainty Analysis in Predicting Molecular Properties Using Chemical Foundation Models
- 2025
- AAAI 2025
Accelerated Discovery for a Sustainable Semiconductor Industry
- 2025
- SPIE Advanced Lithography + Patterning 2025