4 papers
Correlation-Converged Virtual Orbitals for Accurate and Efficient Quantum Molecular Simulations
Qian Wang, Calvin Ku, Jyh-Pin Chou +3
Density functional theory with plane-wave basis sets is widely employed in computational materials science, including applications to isolated molecular systems. However, the inade…
A Neural-Guided Variational Quantum Algorithm for Efficient Sign Structure Learning in Hybrid Architectures
Mengzhen Ren, Yu-Cheng Chen, Yangsen Ye +3
Variational quantum algorithms hold great promise for unlocking the power of near-term quantum processors, yet high measurement costs, barren plateaus, and challenging optimization…
Optimizing Quantum Chemistry Simulations with a Hybrid Quantization Scheme
Calvin Ku, Yu-Cheng Chen, Alice Hu +1
Complex quantum simulation workflows are often hindered by incompatible wavefunction representations adopted across different algorithmic frameworks. In particular, the mismatch be…
Neural Network Assisted Fermionic Compression Encoding: A Lossy-QSCI Framework for Resource-Efficient Ground-State Simulations
Yu-cheng Chen, Ronin Wu, M. H. Cheng +1
Quantum computing promises to revolutionize many-body simulations for quantum chemistry, but its potential is constrained by limited qubits and noise in current devices. In this wo…