Our research spans quantum mechanics, quantum dynamics, quantum computing, and machine learning. Browse our publications below or filter by year and research area.
#441
2025
A Perspective on Quantum Computing Applications in Quantum Chemistry using 25--100 Logical Qubits
arXiv:2506.19337 [quant-ph]
Yuri Alexeev, Victor S. Batista, Nicholas Bauman, et al.
T-ALPHA: A Hierarchical Transformer-Based Deep Neural Network for Protein-Ligand Binding Affinity Prediction With Uncertainty-Aware Self-Learning for Protein-Specific Alignment
J. Chem. Inf. Model., 65, 2395−2415
Gregory W. Kyro, Anthony M. Smaldone, Yu Shee, et al.