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Theoretical and Computational Chemistry

Working Paper

A Mixed-Precision Implementation of the Density Matrix Renormalization Group

Yingqi Tian, Zhaoxuan Xie, Zhen Luo, Haibo Ma

Version 1 posted 15 June 2022

374

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Catalysis

Working Paper

Dissolution and Performing Homogeneous Photocatalysis of Polymeric Carbon Nitride

Chaofeng Huang, Jing Wen, Yanfei Shen, Fei He, Li Mi, Ziyu Gan, Jin Ma, Songqin Liu, Haibo Ma, Yuanjian Zhang

Version 1 posted 14 August 2018

653

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Catalysis

Working Paper

Unraveling Minimum Active Units and Substrate Activation for Carbon Nitride in Photocatalytic Oxidation Reactions

Chaofeng Huang, Yaping Wen, Dandan Dong, Yanfei Shen, Songqin Liu, Haibo Ma, Yuanjian Zhang

Version 1 posted 23 April 2020

394

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Catalysis

Working Paper

H2O2 Photosynthesis from H2O and O2 under Weak Light by Carbon Nitrides with Piezoelectric Effect

Jin Ma, Cheng Peng, Xiaoxiao Peng, Sicheng Liang, Zhixin Zhou, Kaiqing Wu, Ran Chen, Songqin Liu, Yanfei Shen, Haibo Ma, Yuanjian Zhang

Version 2 posted 30 January 2024

667

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Energy

Working Paper

Virtual Characterization via Knowledge-Enhanced Representation Learning: from Organic Conjugated Molecules to Devices

Guojiang Zhao, Qi Ou, Zifeng Zhao, Shangqian Chen, Haitao Lin, Xiaohong Ji, Zhen Wang, Hongshuai Wang, Hengxing Cai, Lirong Wu, Shuqi Lu, FengTianCi Yang, Yaping Wen, Yingfeng Zhang, Haibo Ma, Zhifeng Gao, Zheng Cheng, Weinan E

Version 2 posted 08 April 2025

300

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Theoretical and Computational Chemistry

Working Paper

Low scaling excited state calculation using block interaction product state

Ke Wang, Haibo Ma

Version 1 posted 22 October 2021

368

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Theoretical and Computational Chemistry

Working Paper

Simultaneous Optimization of Donor/acceptor Pairs and Device Specifications for Non-Fullerene Organic Solar Cells Using a QSPR Model with Morphological Descriptors

Yaping Wen, Bohan Yan, Theophile Gaudin, Jing Ma, Haibo Ma

Version 1 posted 07 April 2021

360

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Theoretical and Computational Chemistry

Working Paper

Kylin 1.0: An Ab-Initio Density Matrix Renormalization Group Quantum Chemistry Program

Zhaoxuan Xie, Yinxuan Song, Fangwen Peng, Jianhao Li, Yifan Cheng, Lingzhi Zhang, Yingjin Ma, Yingqi Tian, Zhen Luo, Haibo Ma

Version 1 posted 29 November 2022

488

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Theoretical and Computational Chemistry

Review

New Density Matrix Renormalization Group Approaches for Strongly Correlated Systems Coupled with Large Environments

yihe Xu, yifan Cheng, Song Yinxuan, Haibo Ma

Version 1 posted 29 May 2023

236

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Refine Search

9 results in Haibo Ma in Authors: Haibo Ma

A Mixed-Precision Implementation of the Density Matrix Renormalization Group

Dissolution and Performing Homogeneous Photocatalysis of Polymeric Carbon Nitride

Unraveling Minimum Active Units and Substrate Activation for Carbon Nitride in Photocatalytic Oxidation Reactions

H2O2 Photosynthesis from H2O and O2 under Weak Light by Carbon Nitrides with Piezoelectric Effect

Virtual Characterization via Knowledge-Enhanced Representation Learning: from Organic Conjugated Molecules to Devices

Low scaling excited state calculation using block interaction product state

Simultaneous Optimization of Donor/acceptor Pairs and Device Specifications for Non-Fullerene Organic Solar Cells Using a QSPR Model with Morphological Descriptors

Kylin 1.0: An Ab-Initio Density Matrix Renormalization Group Quantum Chemistry Program

New Density Matrix Renormalization Group Approaches for Strongly Correlated Systems Coupled with Large Environments

9 results in Authors: Haibo Ma