Search

5 results in Authors: Yuzhi Zhang

Theoretical and Computational Chemistry

EnviroDetaNet: Pretrained E(3)-equivariant Message-Passing Neural Networks with Multi-Level Molecular Representations for Organic Molecule Spectra Prediction

Yuzhi Xu, Daqian Bian, Cheng-Wei Ju, Fanyu Zhao, Pujun Xie, Yuanqing Wang, Wei Hu, Zhenrong Sun, John Zhang, Tong Zhu

Version 1 posted 06 September 2024

184

Downloads

Materials Chemistry

Exploring Optimized Organic Fluorophore Search Through Simple Experimental Data-Driven VAE

Chengwei Ju, Yuzhi Xu, Yongrui Luo, Bo Li, Weikang Jiang, Jingyu Zhang, Hanzhi Bai, Zhiqiang Wang, Jiankai Ge, Ruiming Lin, Zehan Mi, Haozhe Zhang, Yifeng Tang, Michael Jones, Xiaotian Li, John Zhang

Version 2 posted 08 February 2024

434

Downloads

Earth, Space, and Environmental Chemistry

Rising Importance of Organosulfur Species for Aerosol Properties and Future Air Quality

Matthieu Riva, Yuzhi Chen, Zhang, Yue, Ziying Lei, Nicole Olson, Hallie Boyer Chelmo, Shweta Narayan, Lindsay Yee, Hilary Green, Tianqu Cui, Zhenfa Zhang, Karsten Baumann, Mike Fort, Eric Edgerton, Sari Budisulistiorini, Caitlin Rose, Igor Ribeiro, Rafael e Oliveira, Erickson dos Santos, Cristine Machado, Sophie Szopa, Yue Zhao, Elianne Alves, Suzanne de Sá, Weiwei Hu, Eladio Knipping, Stephanie Shaw, Sergio Duvoisin Junior, Rodrigo de Souza, Brett Palm, Jose Jimenez, Marianne Glasius, Allen Goldstein, Havala Pye, Avram Gold, Barbara Turpin, William Vizuete, Martin, Scot, Joel Thornton, Cari Dutcher, Andrew Ault, Jason Surratt

Version 1 posted 21 January 2019

774

Downloads

Polymer Science

Electronic Properties and Photocatalytic Hydrogen Evolution Rates for Alternating Conjugated Copolymers: Predictions and Insights by Data-Driven Models

Yuzhi Xu, Cheng-Wei Ju, Bo Li, Qiu-Shi Ma, Lianjie Zhang, Junwu Chen

Version 2 posted 20 November 2020

828

Downloads

Theoretical and Computational Chemistry

A Benchmark for Accurate GPCR Ligand Binding Affinity Prediction with Free Energy Perturbation

Yu Guo, Yu Zhou, Qinru Bai, Zonghua Bo, Ke Song, Junhan Chang, Yuzhi Zhang, Maohua Yang, Yuqin Deng, Dongdong Wang

Version 1 posted 20 September 2023

622

Downloads