2 papers
quant-ph2026
El Agente Cuantico: Automating quantum simulations
Ignacio Gustin, Luis Mantilla Calderón, Juan B. Pérez-Sánchez +8
Quantum simulation is central to understanding and designing quantum systems across physics and chemistry. Yet it has barriers to access from both computational complexity and comp…
cond-mat.mtrl-sci2025
Pre-training Graph Neural Networks with Structural Fingerprints for Materials Discovery
Shuyi Jia, Shitij Govil, Manav Ramprasad +1
In recent years, pre-trained graph neural networks (GNNs) have been developed as general models which can be effectively fine-tuned for various potential downstream tasks in materi…