Shenzhen Xu

Peking University — China

Engineering · Physical Sciences

19h-index1.8kcitations77works3.42yr avg
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Research Topics

Advancements in Battery Materials(31), Advanced Battery Materials and Technologies(19), Advanced Battery Technologies Research(17), Catalytic Processes in Materials Science(10), CO2 Reduction Techniques and Catalysts(10)

Publications77 total

Atomic Resolution of Solid–Electrolyte Interphase Formation via Off-Lattice On-the-Fly Kinetic Monte Carlo
Journal of the American Chemical Society·2026
ABACUS: An electronic structure analysis package for the AI era
The Journal of Chemical Physics·2025· 2 cited
Adsorption of volatiles on dust grains in protoplanetary disks
arXiv (Cornell University)·2025Open Access
Automatic Refinement of Force Fields Based on Phase Diagrams
arXiv (Cornell University)·2025Open Access
Interstellar Dust-Catalyzed Molecular Hydrogen Formation Enabled by Nuclear Quantum Effects
arXiv (Cornell University)·2025Open Access
Consistent Modeling of Non-equilibrium Dust Sublimation and the Interactions with Dust Evolution in the Inner Regions of Protoplanetary Disks
arXiv (Cornell University)·2025Open Access
Self‐Medicating Molten‐Salt Synthesis of Bulk‐Stabilized High‐Energy Cathodes for Li‐Ion Batteries
Angewandte Chemie International Edition·2025
Self‐Medicating Molten‐Salt Synthesis of Bulk‐Stabilized High‐Energy Cathodes for Li‐Ion Batteries
Angewandte Chemie·2025
Observation of dendrite formation at Li metal-electrolyte interface by a machine-learning enhanced constant potential framework
Nature Communications·2025· 8 citedOpen Access
Atomic Resolution of Solid Electrolyte Interphase Formation via Off-Lattice On-the-Fly Kinetic Monte Carlo
2025Open Access
Observing nucleation and crystallization of rock salt LiF from molten state through molecular dynamics simulations with refined machine-learned force field
The Journal of Chemical Physics·2025· 2 cited
Electrochemistry-Enhanced Dynamic Paths Sampling Unveiling Nuclear Quantum Effects in Electrocatalysis
ArXiv.org·2025· 1 citedOpen Access
Observing Nucleation and Crystallization of Rocksalt LiF from Molten State through Molecular Dynamics Simulations with Refined Machine-Learned Force Field
arXiv (Cornell University)·2025Open Access
Probing nuclear quantum effects in electrocatalysis via a machine-learning enhanced grand canonical constant potential approach
Nature Communications·2025· 11 citedOpen Access
Observing Li Nucleation at the Li Metal–Solid Electrolyte Interface in All-Solid-State Batteries
ACS Nano·2025· 13 cited
Methanol adsorption and dissociation on GaP(110) studied by ambient pressure X-ray photoelectron spectroscopy
Surface Science·2025· 1 citedOpen Access
ABACUS: An Electronic Structure Analysis Package for the AI Era
arXiv (Cornell University)·2025· 1 citedOpen Access
Methanol Adsorption and Dissociation on Gap(110) Studied by Ambient Pressure X-Ray Photoelectron Spectroscopy
SSRN Electronic Journal·2025Open Access
Efficient parametrization and deployment of constant potential models based on automatic differentiation: application for simulating heterogeneous M–N–C catalytic electrodes
Physical Chemistry Chemical Physics·2025
Observing Li Nucleation at Li Metal-Solid Electrolyte Interface in All-Solid-State Batteries
arXiv (Cornell University)·2024Open Access
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Frequent Co-authors

Dane Morgan(11), Taiping Hu(10), Emily A. Carter(9), Xiaoxu Wang(7), Fangjia Fu(7), Guobing Zhou(7), Fu‐Zhi Dai(6), Ryan Jacobs(5), Mahesh K. Mahanthappa(4), Robert J. Hamers(4), T. F. Kuech(4), Fuzhi Dai(4), Weibin Chen(4), Chris Wolverton(3), Masihhur R. Laskar(3), David H. K. Jackson(3), Shuyu Fang(3), Linhan Xu(3), Yanqun Tang(3), Song Gao(3)