Chang-Yu Hsieh

发表

Accurate Long-Time Mixed Quantum-Classical Liouville Dynamics via the Transfer Tensor Method.

Jianshu Cao, Alexei A Kananenka, Eitan Geva, 2016, The journal of physical chemistry letters.

Neural-network variational quantum algorithm for simulating many-body dynamics

Shengyu Zhang, Pranay Patil, Chee-Kong Lee, 2021, Physical Review Research.

Introducing block design in graph neural networks for molecular properties prediction

Huanxiang Liu, Xiaojun Yao, Pengyong Li, 2021 .

Hyperbolic relational graph convolution networks plus: a simple but highly efficient QSAR-modeling method

Tingjun Hou, Zhenxing Wu, Chang-Yu Hsieh, 2021, Briefings Bioinform..

Fast Extraction of Word Embedding from Q-contexts

Jiezhong Qiu, Zeyi Liu, Chang-Yu Hsieh, 2021, CIKM.

Neural predictor based quantum architecture search

Chang-Yu Hsieh, Shengyu Zhang, Shi-Xin Zhang, 2021, Mach. Learn. Sci. Technol..

Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models

Tingjun Hou, Zhenxing Wu, Chang-Yu Hsieh, 2021, Journal of Cheminformatics.

RetroPrime: A Diverse, Plausible and Transformer-based Method for Single-Step Retrosynthesis Predictions

Huanxiang Liu, Jiezhong Qiu, Benben Liao, 2021 .

MG-BERT: leveraging unsupervised atomic representation learning for molecular property prediction

Dong-Sheng Cao, Tingjun Hou, Zhi-Jiang Yang, 2021, Briefings Bioinform..

Nonadiabatic dynamics in open quantum-classical systems: forward-backward trajectory solution.

Raymond Kapral, Chang-Yu Hsieh, R. Kapral, 2012, The Journal of chemical physics.

Analysis of geometric phase effects in the quantum-classical Liouville formalism.

Raymond Kapral, Ilya G Ryabinkin, Artur F Izmaylov, 2013, The Journal of chemical physics.

Analysis of the forward-backward trajectory solution for the mixed quantum-classical Liouville equation.

Raymond Kapral, Chang-Yu Hsieh, R. Kapral, 2013, The Journal of chemical physics.