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We are a computational research group in soft condensed matter physics and computational physics. Our group focuses on investigating the behavior of matter at the nanoscale, utilizing state-of-the-art computational tools and techniques.
(a) Water science: Structure and phase transition of water, water under nano confinement, water at two-dimensional interfaces, etc.
(b) Theoretical and computational physics: Phase transitions and supercritical phenomena.
(c) Non-equilibrium statistical physics: dynamic and thermodynamic processes of glass transition and crystallization.
The topological surface state arising from the nontrivial topology of the bulk band structure has attracted a wide range of interest. Compared with electrons, the magnon propagation in magnetic materials can be more intuitively reflected in the spin precession and generate different effects. Using molecular dynamics simulations, we ... Phys. Rev. B 108, 094427 
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We show that nanoscale water capillary bridges (WCB) formed between patchy surfaces can extract energy from the environment when subjected to changes in relative humidity (RH). Our results are based on molecular dynamics simulations combined with a modified version of the Laplace-Kelvin equation, which is validated using the nanoscale WCB... Langmuir 2023, 39, 38, 13449-13458 PDF Download
The plastic deformation of crystalline materials can be understood by considering their structural defects such as disclinations and dislocations. Although also glasses are solids, their structure resembles closely the one of a liquid and hence the concept of structural defects becomes ill-defined... Nature Communications (2023) 14:2955 PDF Download Pkuphyers news Nat. Comm. Comments
Based on large-scale density matrix renormalization group techniques, we investigate the critical behaviors of quantum three-state Potts chains with long-range interactions. Using fidelity susceptibility as an indicator, we obtain a complete phase diagram of the system. The results show that as the long-range interaction power 𝛼 increases... Phys. Rev. E 107, 054122 PDF Download
2023.09 Our paper "Spin Nernst effect and spatiotemporal dynamic simulation of topological magnons in the antiferromagnet Cu3TeO6" was published on Phys. Rev. B.
2023.05 Our paper "Quantum criticality of a Z3-symmetric spin chain with long-range interactions" was published on Phys. Rev. E.
2023.05 Our paper "Topology of vibrational modes predicts plastic events in glasses" was published on Nature Communications.
2022.12 Our paper "Machine learning aided atomic structure identification of interfacial ionic hydrates from atomic force microscopy images" was published on Nature Science Review.
2022.11 Our paper "Conformal Boundary Conditions of Symmetry-Enriched Quantum Critical Spin Chains" was published on Physical Review Letters.
2022.11 Tang Binze gave an oral presentation on CPS Fall Meeting 2022, Shenzhen, China. Congratulations to Binze!
2022.10 Our paper "Fidelity susceptibility as a diagnostic of the commensurate-incommensurate transition: A revisit of the programmable Rydberg chain" was published on Physical Review B.
2022.09 Xuejia Yu won the The Peking University Li Huirong Scholarship and Miyoshi Student of Peking University. Congratulations to Xuejia!
2022.07 Our paper "Visualizing Eigen/Zundel cations and their interconversion in monolayer water on metal surfaces" was published on Science.
2021.12 Yizhi Song and Zhiyuan Huang won the Merit Student Prize. Congratulations to Yizhi and Zhiyuan!
2021.10 Zhiyuan Huang won the The Outstanding Teaching Awards for Teaching Assistants. Congratulations to Zhiyuan!
2021.09 Our paper "Advances in Atomic Force Microscopy: Imaging of Two- and Three-Dimensional Interfacial Water" was published on Front. Chem.
2021.08 Our joint work "Cation- and pH- dependent hydrogen evolution and oxidation reaction kinetics" was published on JACS Au.
2021.08 Binze Tang gave a talk on The 6th Conference Statistical Physics and Complex System (SPCSC2021).
2021.05 Our joint work with Fudan University "Fast crystal growth at ultra-low temperatures" was published on Nat. Mater.
2021.04 Our paper "Glass polyamorphism in gallium: Two amorphous solid states and their transformation on the potential energy landscape" was published on J. Chem. Phys.
2020.09 Our paper "Hydration of the Ammonium Ion in Water: Bifurcated Hydrogen Bonding Structures and Fast Rotational Dynamics" was published by Phys. Rev. Lett.
2020.09 Huang Zhiyuan has won the Peking University President's Scholarship for Doctoral Students! Congratulations to Zhiyuan!
2020.03 Our paper "Energy Stored in Nanoscale Water Capillary Bridges between Patchy Surfaces" was published by Langmuir.
2020.02 Our paper " Nuclear quantum effects on the thermodynamic response functions of a polymorphic waterlike monatomic liquid" was published by Phys. Rev. Research.
2019.09 Our paper "Advances in Atomic Force Microscopy: Weakly Perturbative Imaging of the Interfacial Water" was published by Frontiers in Chemistry.
2019.09 Liu Yizhi has won the Merit Student of Peking University. Congratulations to Yizhi!
2018.09 Song Yizhi has won the Peking University President's Scholarship for Doctoral Students! Congratulations to Yizhi!