Haojun Jia

According to our database, Haojun Jia authored at least 6 papers between 2023 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

Building-Block Aware Generative Modeling for 3D Crystals of Metal Organic Frameworks.

Chenru Duan, Aditya Nandy, Sizhan Liu, Yuanqi Du, Liu He, Yi Qu, Haojun Jia, Jin-Hu Dou

CoRR, May, 2025

AlphaNet: Scaling Up Local Frame-based Atomistic Foundation Model.

Bangchen Yin, Jiaao Wang, Weitao Du, Pengbo Wang, Penghua Ying, Haojun Jia, Zisheng Zhang, Yuanqi Du, Carla P. Gomes, Chenru Duan, Hai Xiao, Graeme Henkelman

CoRR, January, 2025

Optimal transport for generating transition states in chemical reactions.

Chenru Duan, Guan-Horng Liu, Yuanqi Du, Tianrong Chen, Qiyuan Zhao, Haojun Jia, Carla P. Gomes, Evangelos A. Theodorou, Heather J. Kulik

Nat. Mac. Intell., 2025

2024

Generative Design of Functional Metal Complexes Utilizing the Internal Knowledge of Large Language Models.

Jieyu Lu, Zhangde Song, Qiyuan Zhao, Yuanqi Du, Yirui Cao, Haojun Jia, Chenru Duan

CoRR, 2024

React-OT: Optimal Transport for Generating Transition State in Chemical Reactions.

Chenru Duan, Guan-Horng Liu, Yuanqi Du, Tianrong Chen, Qiyuan Zhao, Haojun Jia, Carla P. Gomes, Evangelos A. Theodorou, Heather J. Kulik

CoRR, 2024

2023

Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model.

Chenru Duan, Yuanqi Du, Haojun Jia, Heather J. Kulik

Nat. Comput. Sci., 2023