Ziheng Lu

Dr. Ziheng Lu


Research Focus & Metrics

Academic Career Length

10Years (2017-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

View All Publications
16 January 2025 in Nature
Verified
Journal Article
Open access
PDF file
CZClaudio Zeni
Claudio Zeni
RPRobert Pinsler
Robert Pinsler
DZDaniel Zügner
Daniel Zügner
AFAndrew Fowler
Andrew Fowler
MHMatthew Horton
Matthew Horton
TXTian Xie
Tian Xie
The design of functional materials with desired properties is essential in driving technological advances in areas such as energy storage, catalysis and carbon capture1–3. Generative models accelerate materials design by directly generating new materials given desired property constraints, but current methods have a low success rate in proposing stable crystals or can satisfy only a limited set of property constraints4–11. Here we present MatterGen, a model that generates stable, diverse inorganic materials across the periodic table and can further be fine-tuned to steer the generation towards a broad range of property constraints. Compared with previous generative models4,12, structures produced by MatterGen are more than twice as likely to be new and stable, and more than ten times closer to the local energy minimum. After fine-tuning, MatterGen successfully generates stable, new materials with desired chemistry, symmetry and mechanical, electronic and magnetic properties. As a proof of concept, we synthesize one of the generated structures and measure its property value to be within 20% of our target. We believe that the quality of generated materials and the breadth of abilities of MatterGen represent an important advancement towards creating a foundational generative model for materials design.

8 April 2020 in Chemical Reviews
Verified
Journal Article
Closed access
ZZZheyi Zou
Zheyi Zou
YLYajie Li
Yajie Li
ZLZiheng Lu
Ziheng Lu
DWDa Wang
Da Wang
YCYanhua Cui
Yanhua Cui
Siqi ShiSiqi Shi
Siqi Shi

22 August 2020 in Journal of Materials Chemistry A
Verified
Journal Article
Closed access
PDF file
ZHZhen Hou
Zhen Hou
HTHong Tan
Hong Tan
YGYao Gao
Yao Gao
MLMenghu Li
Menghu Li
ZLZiheng Lu
Ziheng Lu
BZBiao Zhang
Biao Zhang
The solvation structure of Zn 2+ is regulated through incorporating acetonitrile (AN) into the electrolyte, elevating nucleation sites and stablizing zinc metal anode, as revealed by the complementary theoretical and experimental studies.

17 October 2017 in Chemistry of Materials
Verified
Journal Article
Closed access
ZLZiheng Lu
Ziheng Lu
FCFrancesco Ciucci
Francesco Ciucci

1 July 2021 in Journal of Energy Chemistry
Verified
Journal Article
Closed access
ZLZiheng Lu
Ziheng Lu
FSFan Sui
Fan Sui
YMYue-E Miao
Yue-E Miao
GLGuohua Liu
Guohua Liu
CLCheng Li
Cheng Li
CYChunlei Yang
Chunlei Yang

20 August 2019 in Advanced Energy Materials
Verified
Journal Article
Closed access
PDF file
JYJingsi Yi
Jingsi Yi
JCJiahua Chen
Jiahua Chen
ZYZheng Yang
Zheng Yang
YDYang Dai
Yang Dai
WLWeimin Li
Weimin Li
CYChunlei Yang
Chunlei Yang