46 citations · 48 across the 3 of their papers we have counts for
3 papers
cs.AI2025★ 1 cited
FragmentRetro: A Quadratic Retrosynthetic Method Based on Fragmentation Algorithms
Yu Shee, Anthony M. Smaldone, Anton Morgunov +2
Retrosynthesis, the process of deconstructing a target molecule into simpler precursors, is crucial for computer-aided synthesis planning (CASP). Widely adopted tree-search methods…
quant-ph2022★ 1 cited
Quantum Simulation of Preferred Tautomeric State Prediction
Yu Shee, Tzu-Lan Yeh, Jen-Yueh Hsiao +3
Prediction of tautomers plays an essential role in computer-aided drug discovery. However, it remains a challenging task nowadays to accurately predict the canonical tautomeric for…
quant-ph2021★ 46 cited
Qubit-efficient encoding scheme for quantum simulations of electronic structure
Yu Shee, Pei-Kai Tsai, Cheng-Lin Hong +2
Simulating electronic structure on a quantum computer requires encoding of fermionic systems onto qubits. Common encoding methods transform a fermionic system of spin-orbitals…