25 citations · 35 across the 7 of their papers we have counts for
9 papers
Variational Quantum Simulations of Finite-Temperature Dynamical Properties via Thermofield Dynamics
Chee Kong Lee, Shi-Xin Zhang, Chang-Yu Hsieh +2
The recent advancement of quantum computer hardware offers the potential to simulate quantum many-body systems beyond the capability of its classical counterparts. However, most cu…
A photonic chip-based machine learning approach for the prediction of molecular properties
Hui Zhang, Jonathan Wei Zhong Lau, Lingxiao Wan +7
Machine learning methods have revolutionized the discovery process of new molecules and materials. However, the intensive training process of neural networks for molecules with eve…
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…
Deep Learning for Optoelectronic Properties of Organic Semiconductors
Chengqiang Lu, Qi Liu, Qiming Sun +4
Atomistic modeling of energetic disorder in organic semiconductors (OSCs) and its effects on the optoelectronic properties of OSCs requires a large number of excited-state electron…
The Enhancement of Interfacial Exciton Dissociation by Energetic Disorder is a Nonequilibrium Effect
Liang Shi, Chee Kong Lee, Adam P. Willard
The dissociation of excited electron-hole pairs is a microscopic process that is fundamental to the performance of photovoltaic systems. For this process to be successful, the oppo…
A Model of Charge Transfer Excitons: Diffusion, Spin Dynamics, and Magnetic Field Effects
Chee Kong Lee, Liang Shi, Adam P. Willard
In this letter we explore how the microscopic dynamics of charge transfer (CT) excitons are influenced by the presence of an external magnetic field in disordered molecular semicon…