activity
20172022
most citedAlchemy: A Quantum Chemistry Dataset for Benchmarking AI Models

65 citations · 133 across the 12 of their papers we have counts for

collaborators

16 papers

quant-ph2022

A non-Hermitian Ground State Searching Algorithm Enhanced by Variational Toolbox

Yu-Qin Chen, Shi-Xin Zhang, Chang-Yu Hsieh +1

Ground-state preparation for a given Hamiltonian is a common quantum-computing task of great importance and has relevant applications in quantum chemistry, computational material m…

physics.chem-ph20226 cited

Retroformer: Pushing the Limits of Interpretable End-to-end Retrosynthesis Transformer

Yue Wan, Benben Liao, Chang-Yu Hsieh +1

Retrosynthesis prediction is one of the fundamental challenges in organic synthesis. The task is to predict the reactants given a core product. With the advancement of machine lear…

quant-ph2021

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…

cs.CL20212 cited

Fast Extraction of Word Embedding from Q-contexts

Junsheng Kong, Weizhao Li, Zeyi Liu +5

The notion of word embedding plays a fundamental role in natural language processing (NLP). However, pre-training word embedding for very large-scale vocabulary is computationally…

quant-ph20212 cited

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…

quant-ph2020

Spectral Transfer Tensor Method for Non-Markovian Noise Characterization

Yu-Qin Chen, Yi-Cong Zheng, Shengyu Zhang +1

With continuing improvements on the quality of fabricated quantum devices, it becomes increasingly crucial to analyze noisy quantum process in greater details such as characterizin…