25 citations · 35 across the 7 of their papers we have counts for
4 papers · 1 filter
Graph Self-Supervised Learning for Optoelectronic Properties of Organic Semiconductors
Zaixi Zhang, Qi Liu, Shengyu Zhang +3
The search for new high-performance organic semiconducting molecules is challenging due to the vastness of the chemical space, machine learning methods, particularly deep learning…
Variational Quantum Simulation of Chemical Dynamics with Quantum Computers
Chee-Kong Lee, Chang-Yu Hsieh, Shengyu Zhang +1
Classical simulation of real-space quantum dynamics is challenging due to the exponential scaling of computational cost with system dimensions. Quantum computer offers the potentia…
Simulation of Condensed-Phase Spectroscopy with Near-term Digital Quantum Computer
Chee-Kong Lee, Chang-Yu Hsieh, Shengyu Zhang +1
Spectroscopy is an indispensable tool in understanding the structures and dynamics of molecular systems. However computational modelling of spectroscopy is challenging due to the e…
Simulating Energy Transfer in Molecular Systems with Digital Quantum Computers
Chee-Kong Lee, Jonathan Wei Zhong Lau, Liang Shi +1
Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable th…