85 citations · 121 across the 5 of their papers we have counts for
5 papers
Sample-based quantum diagonalization as parallel fragment solver for the localized active space self-consistent field method
Qiaohong Wang, Mario Motta, Ruhee D'Cunha +7
Accurately and efficiently describing strongly correlated electronic systems is a central challenge in quantum computational chemistry, with classical and quantum computers. The lo…
Robotic System for Chemical Experiment Automation with Dual Demonstration of End-effector and Jig Operations
Hikaru Sasaki, Naoto Komeno, Takumi Hachimine +9
While robotic automation has demonstrated remarkable performance, such as executing hundreds of experiments continuously over several days, designing synchronized motions between t…
Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions
Yuri Alexeev, Maximilian Amsler, Paul Baity +124
Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of e…
ADAPT-QSCI: Adaptive Construction of an Input State for Quantum-Selected Configuration Interaction
Yuya O. Nakagawa, Masahiko Kamoshita, Wataru Mizukami +2
We present a quantum-classical hybrid algorithm for calculating the ground state and its energy of the quantum many-body Hamiltonian by proposing an adaptive construction of a quan…
A combined quantum-classical method applied to material design: optimization and discovery of photochromic materials for photopharmacology applications
Qi Gao, Michihiko Sugawara, Paul D. Nation +4
Integration of quantum chemistry simulations, machine learning techniques, and optimization calculations is expected to accelerate material discovery by making large chemical space…