Haojun Jia - Publications, H-index & Citations

Haojun Jia

deep principle inc.

11H指数

41论文数

447被引数

收录论文 18

发表时间

A Large Scale Molecular Hessian Database for Optimizing Reactive Machine Learning Interatomic Potentials 大规模分子Hessian数据库，用于优化反应性机器学习原子间势能

Scientific Data

IF6.9

2025-12-04

OAAI

Taoyong Cui; Yonghong Han; Haojun Jia; Chenru Duan; Qiyuan Zhao

AlphaNet: scaling up local-frame-based neural network interatomic potentials AlphaNet：基于局部坐标系神经网络原子间势能的扩展

npj Computational Materials

IF11.9

2025-11-17

OAAI

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

An actor–critic algorithm to maximize the power delivered from direct methanol fuel cells 一种最大化直接甲醇燃料电池功率的演员-评论家算法

Nature Energy

IF60.1

2025-07-14

PREAI

Hongbin Xu; Yang Jeong Park; Zhichu Ren; Daniel J. Zheng; Davide Menga; Haojun Jia; Chenru Duan; Guanzhou Zhu; Yuriy Román-Leshkov; Yang Shao-Horn; Ju Li

Harnessing Machine Learning to Enhance Transition State Search with Interatomic Potentials and Generative Models 利用机器学习结合原子间势能和生成模型来增强过渡态搜索

Advanced Science

IF14.1

2025-07-13

OAAI

Qiyuan Zhao; Yunhong Han; Duo Zhang; Jiaxu Wang; Peichen Zhong; Taoyong Cui; Bangchen Yin; Yirui Cao; Haojun Jia; Chenru Duan

Computational exploration of codoped Fe and Ru single-atom catalysts for the oxygen reduction reaction Fe和Ru共掺杂单原子催化剂在氧还原反应中的计算探索

JOURNAL OF CATALYSIS

IF6.5

2025-06-14

PREAI

Jia, Haojun; Duan, Chenru; Terrones, Gianmarco G.; Kevlishvili, Ilia

Optimal transport for generating transition states in chemical reactions 在化学反应中产生过渡态的最佳传输

NATURE MACHINE INTELLIGENCE

IF23.9

2025-04-23

OAAI

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

Degradation and Failure Mechanisms of Lithium/LiNi x Co y Mn1-x-y O2 Batteries 锂/LiNi x Co y Mn1-x-y O2电池的降解和失效机理

ACS ENERGY LETTERS

IF18.2

2025-04-15

OAAI

Guo, J; Li, PW; Piccolo, F; Jie, YL; Jia, HJ; Cao, RG; Jiao, SH; Adelhelm, P; Xu, YL

Leveraging natural language processing to curate the tmCAT, tmPHOTO, tmBIO, and tmSCO datasets of functional transition metal complexes

FARADAY DISCUSSIONS

IF3.1

2025-01-01

OAAI

Kevlishvili, Ilia; St Michel, Roland G.; Garrison, Aaron G.; Toney, Jacob W.; Adamji, Husain; Jia, Haojun; Roman-Leshkov, Yuriy; Kulik, Heather J.

Efficient and Homogenous Precipitation of Sulfur Within a 3D Electrospun Heterocatalytic Rutile/Anatase TiO2-x Framework in Lithium-Sulfur Batteries 锂硫电池中3D电纺异催化金红石/锐钛矿TiO2-x骨架中硫的高效均匀沉淀

ADVANCED FIBER MATERIALS

IF21.3

2024-03-18

OAAI

Feng, Ping; Dong, Kang; Xu, Yaolin; Zhang, Xia; Jia, Haojun; Prell, Henrik; Tovar, Michael; Manke, Ingo; Liu, Fuyao; Xiang, Hengxue; Zhu, Meifang; Lu, Yan

Computational Discovery of Codoped Single-Atom Catalysts for Methane-to-Methanol Conversion 甲烷-甲醇转化共掺杂单原子催化剂的计算发现

ACS CATALYSIS

IF13.1

2024-02-13

PREAI

Jia, Haojun; Duan, Chenru; Kevlishvili, Ilia; Nandy, Aditya; Liu, Mingjie; Kulik, Heather J.

Benchmarking nitrous oxide adsorption and activation in metal-organic frameworks bearing coordinatively unsaturated metal centers 在带有配位不饱和金属中心的金属-有机框架中对一氧化二氮的吸附和活化进行基准测试

JOURNAL OF MATERIALS CHEMISTRY C

IF5.1

2024-01-01

OAAI

Pitt, Tristan A.; Jia, Haojun; Azbell, Tyler J.; Zick, Mary E.; Nandy, Aditya; Kulik, Heather J.; Milner, Phillip J.

Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model 具有对象感知的等变基本反应扩散模型的精确过渡状态生成

NATURE COMPUTATIONAL SCIENCE

IF18.3

2023-12-15

PREAI

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

Progress and Perspectives on the Development of Pouch-Type Lithium Metal Batteries 袋式锂金属电池的发展进展与展望

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2023-11-20

PREAI

Jie, Yulin; Tang, Chao; Xu, Yaolin; Guo, Youzhang; Li, Wanxia; Chen, Yawei; Jia, Haojun; Zhang, Jing; Yang, Ming; Cao, Ruiguo; Lu, Yuhao; Cho, Jaephil; Jiao, Shuhong

Phosphonated graphene oxide-modified polyacrylamide hydrogel electrolytes for solid-state zinc-ion batteries 磷化氧化石墨烯改性聚丙烯酰胺水凝胶电解质在固态锌离子电池中的应用

ELECTROCHIMICA ACTA

IF5.6

2022-12-01

PREAI

Abbasi, Ali; Xu, Yaolin; Abouzari-Lotf, Ebrahim; Etesami, Mohammad; Khezri, Ramin; Risse, Sebastian; Kardjilov, Nikolay; Tran, Khanh Van; Jia, Haojun; Somwangthanaroj, Anongnat; Manke, Ingo; Lu, Yan; Kheawhom, Soorathep

Modeling the roles of rigidity and dopants in single-atom methane-to-methanol catalysts

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2022-01-01

OAAI

Jia, Haojun; Nandy, Aditya; Liu, Mingjie; Kulik, Heather J.

Ternary hypervalent silicon hydrides via lithium at high pressure

PHYSICAL REVIEW MATERIALS

IF3.4

2020-11-18

OAAI

Liang, Tianxiao; Zhang, Zihan; Feng, Xiaolei; Jia, Haojun; Pickard, Chris J.; Redfern, Simon A. T.; Duan, Defang