Publications (12)
Learning Optimal Decoherence Time Formulas for Surface Hopping Simulation of High-Dimensional Scattering
Cancan Shao, Rixin Xie, Zhecun Shi +1
In our recent work (J. Phys. Chem. Lett. 2023, 14, 7680), we utilized the exact quantum dynamics results as references and proposed a general machine learning method to obtain the…
Feasibility of accelerating homogeneous catalyst discovery with fault-tolerant quantum computers
Nicole Bellonzi, Alexander Kunitsa, Joshua T. Cantin +16
The industrial manufacturing of chemicals consumes a significant amount of energy and raw materials. In principle, the development of new catalysts could greatly improve the effici…
High-performance green and blue quantum-dot light-emitting diodes with eliminated charge leakage
Yunzhou Deng, Feng Peng, Yao Lu +12
Quantum-dot light-emitting diodes (QD-LEDs) promise a new generation of efficient, low-cost, large-area, and flexible electroluminescent devices. However, the inferior performance…
Efficient Energy Transport in an Organic Semiconductor Mediated by Transient Exciton Delocalization
Alexander J. Sneyd, Tomoya Fukui, David Palecek +15
Efficient energy transport is highly desirable for organic semiconductor (OSC) devices such as photovoltaics, photodetectors, and photocatalytic systems. However, photo-generated e…
Deciphering exciton-generation processes in quantum-dot electroluminescence
Yunzhou Deng, Xing Lin, Wei Fang +5
Electroluminescence (EL) of colloidal nanocrystals promises a new generation of high-performance and solution-processable light-emitting diodes (LEDs). The operation of nanocrystal…
QB Ground State Energy Estimation Benchmark
Nicole Bellonzi, Joshua T. Cantin, Mohammad Reza Jangrouei +14
Ground State Energy Estimation (GSEE) is a central problem in quantum chemistry and condensed matter physics, demanding efficient algorithms to solve complex electronic structure c…
Charge separation by photoexcitation in semicrystalline polymeric semiconductors: An intrinsic or extrinsic mechanism?
Francis Paquin, Gianluca Latini, Maciej Sakowicz +5
We probe charge photogeneration and subsequent recombination dynamics in neat regioregular poly(3-hexylthiophene) films over six decades in time by means of time-resolved photolumi…
Triplet J-driven DNP, a proposal to increase the sensitivity of solution-state NMR without microwave
Maria Grazia Concilio, Yiwen Wang, Linjun Wang +1
Dynamic nuclear polarization (DNP) is an important method to enhance the limited sensitivity of nuclear magnetic resonance (NMR). Using the existing mechanisms such as Overhauser D…
Overview of Ground-based Wide-Angle Cameras array
Liping Xin, Lei Huang, Hongbo Cai +25
As one of the key ground-based facilities of the Chinese-French SVOM mission, the main scientific objectives of the Ground-based Wide Angle Camera array (GWAC) are to detect prompt…
Hierarchical Equations of Motion Solved with the Multiconfigurational Ehrenfest Ansatz
Zhecun Shi, Huiqiang Zhou, Lei Huang +2
Being a numerically exact method for the simulation of dynamics in open quantum systems, the hierarchical equations of motion (HEOM) still suffers from the curse of dimensionality.…
Planted Solutions in Quantum Chemistry: Generating Non-Trivial Hamiltonians with Known Ground States
Linjun Wang, Joshua T. Cantin, Smik Patel +3
Generating large, non-trivial quantum chemistry test problems with known ground-state solutions remains a core challenge for benchmarking electronic structure methods. Inspired by…
Global Minimization of Electronic Hamiltonian 1-Norm via Linear Programming in the Block Invariant Symmetry Shift (BLISS) Method
Smik Patel, Aritra Sankar Brahmachari, Joshua T. Cantin +2
The cost of encoding a system Hamiltonian in a digital quantum computer as a linear combination of unitaries (LCU) grows with the 1-norm of the LCU expansion. The Block Invariant S…