2 papers
quant-ph2026
Scalable Quantum Molecular Generation via GPU-Accelerated Tensor-Network Simulation
Yu-Cheng Xiao, Jen-Yu Chang, Tzu-Ling Kuo +7
We propose Scalable Quantum Molecular Generation (SQMG), a variational quantum-circuit for sampling molecular graphs using chemical priors on atoms and bonds. SQMG assigns a fixed…
cond-mat.mtrl-sci2026
Autonomous Multi-objective Alloy Design through Simulation-guided Optimization
Penghui Yang, Chendong Zhao, Bijun Tang +11
Alloy discovery is constrained by vast compositional spaces, competing objectives, and prohibitive experimental costs. Although simulations and machine learning have each accelerat…