73 citations · 108 across the 7 of their papers we have counts for
4 papers · 1 filter
Clifford-efficient sparse state preparation for molecular wavefunctions
Yingrong Chen, Nathan A. Baker, Rushi Gong +7
Sparse quantum state preparation concerns an -qubit target state that is a superposition of only computational basis states. Existing approaches exploit this sparsit…
QDK/Chemistry: A Modular Toolkit for Quantum Chemistry Applications
Nathan A. Baker, Brian Bilodeau, Chi Chen +23
We present QDK/Chemistry, a software toolkit for quantum chemistry workflows targeting quantum computers. The toolkit addresses a key challenge in the field: while quantum algorith…
End-to-End Quantum Simulation of a Chemical System
Wim van Dam, Hongbin Liu, Guang Hao Low +6
We demonstrate the first end-to-end integration of high-performance computing (HPC), reliable quantum computing, and AI in a case study on catalytic reactions producing chiral mole…
Prospects of Quantum Computing for Molecular Sciences
Hongbin Liu, Guang Hao Low, Damian S. Steiger +3
Molecular science is governed by the dynamics of electrons, atomic nuclei, and their interaction with electromagnetic fields. A reliable physicochemical understanding of these proc…