248 citations · 426 across the 15 of their papers we have counts for
15 papers
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…
Accurate harmonic vibrational frequencies for diatomic molecules via quantum computing
Shih-Kai Chou, Jyh-Pin Chou, Alice Hu +2
During the noisy intermediate-scale quantum (NISQ) era, quantum computational approaches refined to overcome the challenge of limited quantum resources are highly valuable. However…
Ultrafast spintronics with geometric effects in non-adiabatic wave-packet dynamics
Matisse Wei-Yuan Tu, Li-Sheng Lin, Chung-Yu Wang +6
Motivated by the intriguing possibilities of steering ultrafast non-adiabatic processes through the geometric properties of bands in quantum materials by laser pulses, we extend a…
Accurate and Efficient Quantum Computations of Molecular Properties Using Daubechies Wavelet Molecular Orbitals: A Benchmark Study against Experimental Data
Cheng-Lin Hong, Ting Tsai, Jyh-Pin Chou +8
Although quantum computation (QC) is regarded as a promising numerical method for computational quantum chemistry, current applications of quantum-chemistry calculations on quantum…
\emph{Ab initio} study of (100) diamond surface spins
Jyh-Pin Chou, Péter Udvarhelyi, Nathalie P. de Leon +1
Unpaired electronic spins at diamond surfaces are ubiquitous and can lead to excess magnetic noise. They have been observed in several studies to date, but their exact chemical nat…
Find The Optimized Structure of 5CBs
Zhi-Hao Chen, Jyh-Pin Chou
We use density functional theory (DFT) to investigate the geometric and electronic structures of multiple 5CB molecules. There are three parts for this research, test of the arrang…