1 citations · 1 across the 4 of their papers we have counts for
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…
Benchmarking Quantum Simulation of Chemical Hamiltonians using the Sorted-List Encoding
Calvin Ku, Yu-Cheng Chen, Alice Hu +1
Quantum Phase Estimation (QPE) is a cornerstone algorithm for fault-tolerant quantum computation, especially for electronic structure calculations of chemical systems. Optimal simu…
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…
Molecular Ground State Simulation by Subspace Restriction and Hund's Rule
Tsung-Chi Chiang, Calvin Ku, Jyh-Pin Chou +3
The Subspace Restriction Scheme (SRS) is presented to address the qubit and resource constraints of molecular simulation on near-term quantum hardware. SRS restricts a molecular Ha…