73 citations · 108 across the 7 of their papers we have counts for
3 papers · 1 filter
Classification of electronic structures and state preparation for quantum computation of reaction chemistry
Maximilian Mörchen, Guang Hao Low, Thomas Weymuth +3
Quantum computation for chemical problems will require the construction of guiding states with sufficient overlap with a target state. Since easily available and initializable mean…
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…
Acceleration without Disruption: DFT Software as a Service
Fusong Ju, Xinran Wei, Lin Huang +13
Density functional theory (DFT) has been a cornerstone in computational chemistry, physics, and materials science for decades, benefiting from advancements in computational power a…