Publications

#: equal contribution; *: corresponding author. 

2026

  1. C. Chen, T. Jiang, X. Wei, Y. Wang*, PolyCrysDiff: Controllable Generation of Three-Dimensional Computable Polycrystalline Material Structures, submitted.
  2. Z. Dang#, L. Cheng#, Z. Tang, Z. Zhang, Y. Tian, J. Wu, Y. Chang, C. Chen, Y. Wang*, Uncertainty-Driven Deep-Ensemble Temporal Convolutional Networks for Predicting Chemical Reaction Dynamics, submitted.
  3. A. Zhou, S. Zahran, C. Chen, Z. Zhang*, Y. Wang*, A Joint Voxel Flow-Phase Field Framework for Ultra-Long Microstructure Evolution Prediction with Physical Regularization, submitted.
  4. Y. Chen, R. Yang, Z. Zhang, M. Ahmed*, Y. Wang*, A Large-Language-Model Assisted Automated Scale Bar Detection and Extraction Framework for Scanning Electron Microscopic Images, submitted.
  5. Z. Tang, Z. Dang, Y. Chen, J. Wu, H. Li, Y. Wang*, EvoMD-LLM: Learning the Language of Species Evolution in Reactive Molecular Dynamics, submitted.
  6. S. Zahran, A. Zhou, Z. Zhang, C. Chen, C. Yuan*, Y. Wang*, Physics Informed Generative AI Enabling Labour Free Segmentation For Microscopy Analysis, submitted.
  7. Q. He#, D.-D. Wang#, Q. Yuan, R. Wang, N. Si, Y. Han*, Y. Wang*, S. Liu*, Highly Oriented and Continuous Epitaxial 2D Tellurium on Violet Phosphorus with Transistor–Memory Functionality, submitted.
  8. J. Ma, T. Liu, Z. Dang, Y. Wang, Y. Cho*, Phase-Pure Thiophene-Based Quasi-2D Perovskite Single Crystals via Co-Solvent-Controlled Crystallization, submitted.
  9. Y. Ma#, Z. Yin#, Y. Chang#, Q. Meng, Q. Qi, Y. Hua, J. Yu, Z. Zhan, C. Deng, Z. Zhang, M. Wu, C. F. Cheung, J. Huang, Y. Wang*, Y. Kim*, D. Aurbach*, Z.-L. Xu*, Carbonyl-staggered covalent organic frameworks for high-rate and ultrastable rechargeable calcium-organic batteries, submitted.
  10. Y. Chang, R. Wang, Z. Zhang, Z. Dang, D.-D. Wang, Y. Wang*, Auger Decay Facilitated Vacancy Formation in PtSe2 Monolayer under Electron Beam, submitted.
  11. H. Mirdamadi#, J. David#, R. Wang, T. Jiang, Y. Wang, K. Vařeka, M. Dymáček, P. Bábor, T. Šikola, M. Kolíbal*, Confined Reactivity in the van der Waals gap beneath graphene: Supply-Limited Kinetics and Emergent Reaction Pathways, submitted.
  12. Y. Yi#, Y. Chang#, R. Li, L. Lyv, Z. Zhang, Q. Meng, H. Lin, P. Jiang, D. Lu, Y. Wang*, X. Fan, Z.-L. Xu*, Origins of Rapid Solvated-Calcium Ion Co-intercalation in Graphite Anodes, submitted. 
  13. Z. Zhang#, R. Wang#, Z. Wei, Y. Wei, Z. Liu, Z. Guo, S. Hu, Y. Zhao, Y. Wang*, R. Tao*, Z. Zhang*, X. Zang*, Size and Color-Center Controllable Nanocrystalline Diamonds from Low-Grade Coals, submitted.
  14. Y. Zou#, J. Liu#, Y. Chang#, C. Duan*, W. Han, W. Zhan, Y. Liang, J. Guo, H. Wang, Y. Liao, F. Liu, S. Wang, B. Li, Y. Miao, Y. Chen, Y. Wang*, Y. Wang*, Y. Zhao*, Differential Ligand–Cation Interactions Enable 2D-Template-Induced Ordered Assembly for Efficient Tin-Based Perovskite Photovoltaics, Adv. Mater., in press.
  15. Y. Tian#, X. Cheng#, L. Cheng#, Y. Chang, J. Wu, M. Gu, K.-T. Bang, R. Wang, R. Tao, Y. Wang, S. So, Y. Wang*, Y. Kim*, Single-Crystalline Borate Covalent Organic Frameworks for Solid-State Lithium Metal Batteries, Adv. Sci., in press.
  16. W. Zhan, H. Wang, J. Guo, Y. Liang, Y. Wang, J. Wu, Z. Dang, N. Zhang, J. Cao, Y, Fan, Y. Zou, B. Li, Y. Wang, Y. Chen*, Y. Miao*, Y. Zhao*, Bulk Fabrication of Space-Confined CsPbI3 NanocrystalFilms Toward Efficient and Bright Deep-Red LEDs, Adv. Mater., in press.
  17. J. Huang#, H. Lin#, Z. Zhang, C. Li, R. Li, M. Gu, H. Luo, E. J. Yang, Y. Chang, Y. Wang, Z.-L. Xu*, Y. Kim*, Stable Calcium Metal Batteries Enabled by Ionic Covalent Organic Framework Artificial Protection Layers, InfoMat, in press.
  18. R. Wang, Y. Wang, Z. Zhang, Y. Wu, Z. Dang, X. Cheng, X. Chen, W. Feng, L. Y. F. Lam, X. Hu, Y. Wang, J. Shang*, Y. Kim*, NO2 Adsorption at Humid, Low-Concentration Environments Using Undulated and Metalated CovalentOrganic Frameworks, Adv. Funct. Mater., in press.
  19. Z. Yin, J. Wu, Y. Tian, Y. Yuan, M. Gu, L. Cheng, Y. Wang, Y. Kim*, High-Performance Quasi-Solid-State Calcium-Ion Batteriesfrom Redox-Active Covalent Organic Framework Electrolytes, Adv. Sci., in press.
  20. B. Song, P. Bai, Z. Li, Z. Zhong, Y. Chang, Z. Hu, P. Yang, X. Miao, Y. Wang, S. Peng*, Chiral Exciton-Polariton Continuous-Wave Perovskite Laser, Adv. Mater., in press.
  21. M. Gu, J. Wu, C. Li, Z. Zhang, Y. Wu, X. Cheng, R. Li, Y. Tian, G. Bang, R. Wang, S. Suleman, Y. Yuan, J. Huang, Z. Yin, D.-M. Shin, Z. Xu, Y. Wang, Y. Kim*, Mechanically Assisted Li+-Conduction in Crown Ether-Covalent Organic Frameworks for Lithium Metal Batteries, Adv. Mater., 38(5), e11473 (2026).
  22. Y. He, R. Wang, Y. Wang, S. Liu*, A multiscale lattice Boltzmann framework based on moment-space information transfer: Application to laser-induced synthesis, Comput. Phys. Commun., 321, 110025 (2026).
  23. T. Liu, Z. Dang, Y. Wang, Y. Cho*, Solvent Engineering Enabled Phase-Pure Quasi-2D Perovskite Crystals with Aromatic Spacers, Chem. Eng. J., 527, 171987 (2026).
  24. Z.-K. Xie#, F. Cui #, J. Wu#, Y. Zhang, Z. Zhang, J. Fu, R. Shang, Y. Ruan, G. Liu, Y. Wang*, J. Xie*, J. Yan*, B. Qiao*, Understanding the Impact of Grafted Chain Length in Polymer Electrolytes with Nonlinear Architectures, Macromolecules, 59(1), 476-485 (2026).
  25. R. Wang#, Z. Zhang#, X. Cheng#, Z. Dang, Y. Tian, Y. Yuan, Y. Wang*, Y. Kim*, Bimetallic and Bipolar Covalent Organic Framework Cathodes for Polysulfide Catalysis and Trapping for Li–S Batteries, Small, 22(2), e10658 (2026).

2025

  1. Y. Liang#, G. Chen#, Y. Wang#, Y. Zou#, M. Feng, Y. Wang, B. Li, Y. Cho, Y. Chang, T. Liu, T. Zhang, Y. Lou, R. Xu, L. Lu, N. Zhng, K. Meng, C. Zhu, C. Ouyang, Y. Miao, Y. Guo, Y. Chen, Y. Zhao, A matrix-confined molecular layer for perovskite photovoltaic modules, Nature, 648, 91-96 (2025).
  2. S. Liu*,#, R. Wang#, X. Cai, Y. Wang*, Electron beam facilitated structural evolution of nano-zincoxide, Nanoscale, 17, 25166-25173 (2025).
  3. Y. Deng, T. Jiang, Z. Deng*, Y. Wang*, luMOD: A lightweight universal Mid-range atomic Orientational Descriptor, J. Chem. Theory Comput., 21(22), 11687-11696 (2025).
  4. F. Liu, Y. Zou, P. Wang, H. Wang, J. Guo, Y. Liang, H. Wang, W. Zhan, Z. Dang, J. Wu, Y. Wang, B. Li, Y. Miao, Y. Chen, Y. Wang*, Y. Zhao*, Solvent-induced orientation of FAPbI3 single crystals for highly efficient self-powered X-ray detectors, Chem. Sci., 16, 21942 (2025).
  5. Y. Mu, S. Liu, Y. Wang, C. Shu, Y. Han, K. Liu, Z. Song, Y. Wang, X. Yan, Z. Liu*, M. Zhao*, Mobility Enhancement in Monolayer MoS2 Transistors on a Polyimide Substrate by Reducing Localized Charge Trap Effect, ACS Appl. Electron. Mater., 7(18), 8571-8582 (2025).
  6. Z. Dang#, Y. Chang#, J. Wu#, Z. Zhang, Z. Tang, Y. Wang*, Decoding Complexity in Chemical Vapor Deposition Processes of Two-Dimensional Materials via Atomistic Modeling, Phys. Chem. Chem. Phys., 27(36), 18821-18854 (2025). (Invited)
  7. N. Si#, R. Wang#, C. Zhou#, Y. Chang, Q. He, Y. Wang, Y. Mu, Y. Wang*, S. Liu*, Q. Yuan*, Ultrathin PtSe2 Nanowires in Single-Walled Carbon Nanotubes for Hydrogen Evolution Reaction, Angew. Chem. Int. Ed., e202510463 (2025).
  8. Y. Liu#, Y. Deng#, Y. Wang, L. Wang, T. Liu, Z. Gong, Z. Fan, Z. Su*, Y. Wang*, Y. Dan*, Surface Self-assembly of Gold Nanoparticles on Graphite Driven by Ion-irradiation-induced Atomic Defects, Appl. Surf. Sci., 704(30), 163442 (2025).
  9. Z. Shen, W. Bao, Z. Dang, He Li, R. Shang, M. Hu, Y. Wang*, J. Xie*, B. Qiao*, Predicting the Ionic Conductivity and Obtaining Mechanistic Insights of Plasticized Solid Polymer Electrolytes Using a Data-Driven Approach, Macromolecules, 58(8), 4194-4205 (2025).
  10. Y. Wang, B. Li, H. Wang, Z. Zhang, Z. Dang, Y. Miao, K. Ma, Z. Qin, L. Lu, N. Zhang, Y. Wang*, Y. Chen*, Y. Zhao*, A Soft Nonpolar-Soluble Two-Dimensional Perovskite for General Construction of Mixed-Dimensional Heterojunctions, Adv. Mater., 37(14), 2419750 (2025).
  11. N. Si, R. Wang, Q. He, S. Liu*, Y. Wang*, Q. Yuan*, Growth Pathway and Phase Transition from Quasi-layered Pt5Se4 to Layered PtSe2 nanocrystals, Small Methods, 2402020 (2025).
  12. C. Li, D. Wang, Z. Zhang, J. U. Choi, J. Huang, K.-T. Bang, S. Xu, Y. Wang, Y. Kim*, Poly(norbornene-diphenothiazine) for Electrochemical Capture and Release of Chromium and Arsenic Oxyanions from Water, Energy Environ. Mater., 8(3), e12865 (2025).
  13. L. Cheng, Y. Deng, J. Huang, Z. Zhang, H. Duan*, Y. Kim*, Y. Wang*, Atomistic Transport Mechanisms in Lithium Salt-Doped Ionic Covalent Organic Framework Electrolytes, Batter. Supercaps, 8(4), e202400580 (2025). (Invited)
  14. Q. He#, D. Wang#, H. Qiu, N. Si, Q. Yuan, R. Wang, S. Liu*, Y. Wang*, Highly Air-stable N-doped Two-Dimensional Violet Phosphorus with Atomically Flat Surfaces, ACS Nano, 19(1), 427-438 (2025).
  15. Z. Dang, Z. Tang, J. Wu, Y. Chang, Y. Wang*, Unraveling the Reaction Networks and Key Pathways During the Gas Phase Stage in CVD Synthesis of MoS2, Chem. Eng. J., 503, 157957 (2025).

2024

  1. J. Huang, C. Li, H. Luo, L. Cheng, J. Gao, D. Jiang, G. Li, Z. Xu, D. Shin, Y. Wang, Y. Kim*, Solid-State Electrolytes for Lithium Metal Batteries: State‐of‐the‐Art and Perspectives, Adv. Funct. Mater., 2411171 (2024).
  2. X. Hui, Z. Zhan, Z. Zhang, J. Yu, P. Jiang, Z. Dang, J. Wang, S. Cai*, Y. Wang*, Z. Xu*, Missing-linker Metal-organic Frameworks Regulated Single Zn2+ Conducting Solid Polymer Electrolytes for Stable Zinc Metal Batteries, ACS Nano, 18(36), 25237-25248 (2024).
  3. Y. Mu, S. Liu, Y. Wang, Z. Liu, M. Zhao*,  Understanding electron transport mechanisms in monolayer MoS2 transistors: Impact of lattice phonon scattering and localized charge traps, Phys. Rev. B, 110(11), 115414 (2024).
  4. Y. Yuan, D. Wang, Z. Zhang, K.-T. Bang, H. Chen, R. Wang, Y. Wang, Y. Kim*, Charge-Delocalized Triptycene-Based Ionic Porous Organic Polymers as Solid Electrolytes for Lithium-Metal Batteries, ACS Appl. Mater. Interfaces, 16(34), 44957-44966 (2024).
  5. S. He, F. Xiao*, R. Hou, S. Zuo, Y. Zhou, X. Cai, Z. Li, Y. Wang, A. A. Catal, E. I. Galindo-Nava, X. Jin*, Accelerated learning and co-optimization of elastocaloric effect and stress hysteresis of elastocaloric alloys, Rare Met., (2024).
  6. Z. Zhang, Z. Xu*, C. Shen, H. Zhao*, K. Wang, L. Cheng, Y. Wang, A computational model incorporating realistic microstructures for predicting effective thermal conductivity of polyimide nanofiber aerogel, Next Mater., 5, 100221 (2024).
  7. J. Huang, L. Cheng, Z. Zhang, C. Li, K.-T. Bang, A. Liem, H. Luo, C. Hu, Y. M. Lee, Y. Wang*, Y. Kim*, High-Performance All-Solid-State Lithium Metal Batteries Enabled by Ionic Covalent Organic Framework Composites, Adv. Energy Mater., 2400762 (2024).
  8. R. Wang, J. Li, Y. Wang*, Atomistic Mechanisms of Ring Formation During Catalyzed Carbon Nanotube Growth, J. Phys. Chem. C, 128 (12), 5112–5119 (2024).
  9. Y. Yuan, Z. Zhang, Z. Zhang, K.-T. Bang, Y. Tian, Z. Dang, M. Gu, R. Wang, R. Tao, Y. Lu, Y. Wang, Y. Kim*, Highly Conductive Imidazolate Covalent Organic Frameworks with Ether Chains as Solid Electrolytes for Lithium Metal Batteries, Angew. Chem. Int. Ed., 63, e20240220 (2024).

2023

  1. Z. Zhang#, H. Fang#, Z. Xu, J. Lv, Y. Shen, Y. Wang*, Multi-objective Generative Design of Three-Dimensional Composite Materials, APL Mach. Learn., 1(4), 046120 (2023).
  2. C. Li, D. Wang, G. S. H. P. Ho, Z. Zhang, J. Huang, K. Bang, C. Y. Lau, S. Leu, Y. Wang, Y. Kim*, Anthraquinone-Based Silicate Covalent Organic Frameworks as Solid Electrolyte Interphase for High-Performance Lithium-Metal Batteries, J. Am. Chem. Soc., 145(45), 24603-24614 (2023).
  3. Z. Zhang, P. Bai, Y. Xiao, Y. Guo*, Y. Wang*, Conformation-Induced Stiffening Effect of Crosslinked Polymer Thin Films, Commun. Physics, 6(1), 332 (2023).
  4. Y. Deng#, Y. Wang#, K. Xu, Y. Wang*, A Lightweight Extendable Stacking Framework for Structure Classification in Atomistic Simulations, J. Chem. Theory Comput., 19(22), 8332-8339 (2023).
  5. S. Peng, Y. Wang, M. Braun, Y. Yin, A. C. Meng, W. Tan, B. Saini, K. Severson, A. F. Marshall, K. Sytwu, J. Baniecki, J. Dionne, W. Cai and P. C. McIntyre*, Kinetics and Mechanism of Light-Induced Phase Separation in a Mixed-Halide Perovskite, Matter, 6(6), 2052-2065 (2023).

2022

  1. S. He, Y. Wang, Z. Zhang, F. Xiao*, S. Zuo, Y. Zhou, X. Cai, X. Jin*, Interpretable Machine Learning Workflow for Evaluation of the Transformation Temperatures of TiZrHfNiCoCu High Entropy Shape Memory Alloys, Mater. Design, 225, 111513 (2023).
  2. Z. Wang, J. Wu, Y. Wang*, Revealing Atomistic Mechanisms of Gold-Catalyzed Germanium Growth Using Molecular Dynamics Simulations, J. Phys. Chem. C, 126(44), 18867-18875 (2022).
  3. P. Li, Z. Sun, Y. Wang, R. Razaq, Y. Gao, S. Bo*, Overpotential-Regulated Stable Cycling of a Thin Magnesium Metal Anode,  ACS Appl. Mater. Interfaces, 14(27), 31435-31447 (2022).
  4. T. Xie, A. France-Lanord, Y. Wang, J. Lopez, Michael M. Stolberg, M. Hill, G. M. Leverick, R. Gomez-Bombarelli, J. A. Johnson, Y. Shao-Horn and Jeffrey C. Grossman*, Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties, Nat. Commun., 13(1), 1-10 (2022).

2021

  1. A. Jana, T. Zhu, Y. Wang, J. J. Adams, L. Kearney, A. Naskar, J. C. Grossman and N. Ferralis*, Atoms to Fibers: identifying novel processing methods in the synthesis of pitch-based carbon fibers, Sci. Adv., 8(11), eabn1905 (2022).
  2. J. Chen, Y. Wang, W. Xu, Y. Wen, G. H. Ryu, J. C. Grossman, J. H. Warner*, Atomic Structure of Dislocations and Grain Boundaries in Two-Dimensional PtSe2, ACS Nano, 15(10), 16748-16759 (2021).
  3. A. C. Meng, Y. Wang, M. R. Braun, J. Z. Lentz, S. Peng, H. Cheng, A. F. Marshall, W. Cai, P. C. McIntyre*, Bending and Precipitate Formation Mechanisms in Epitaxial Ge-Core/GeSn-Shell Nanowires, Nanoscale, 13, 17547-17555 (2021).
  4. B. Huang*, R. R. Rao, S. You, K. H. Myint, Y. Song, Y. Wang, W. Ding, L. Giordano, Y. Zhang, T. Wang, S. Muy, Y. Katayama, J. C. Grossman, A. P. Willard, K. Xu, Y. Jiang and Yang Shao-Horn*, Cation- and pH- dependent hydrogen evolution and oxidation reaction kinetics, JACS Au, 1(10), 1674-1687 (2021).
  5. B. Jin#,*, Y. Wang#, C. Jin, R. Tang*, Revealing Au13 as elementary clusters during the early formation of Au nanocrystal, J. Phys. Chem. Lett., 12, 5938-5943 (2021).
  6. B. Huang*, K. H. Myint, Y. Wang, Y. Zhang, R, R Rao, J. Sun, S. Muy, Y. Katayama, J. C. Garcia, D. Fraggedakis, J. C. Grossman, M. Z. Bazant, K. Xu, A. P. Willard* and Y. Shao-Horn*, Cation-Dependent Interfacial Structures and Kinetics for Outer-Sphere Electron-Transfer Reactions, J. Phys. Chem. C, 125(8), 4397-4411 (2021).

2020

  1. P. Wang, R. Lu, A. France-Lanord, Y. Wang, J. C. Grossman* and T. M. Swager*, Cyclobutene Based Macrocycles, Mater. Chem. Front., 4, 3529-3538 (2020).
  2. A. C. Meng, M. R. Braun, Y. Wang, S. Peng, W. Tan, J. Z. Lentz, M. Xue, A. Pakzad, A. F. Marshall, J. S. Harris, W. Cai, and P. C. McIntyre*, Growth Mode Control for Direct-Gap Core/Shell Ge/GeSn Nanowire Light Emission, Mater. Today, 40, 101-113 (2020).
  3. Y. Wang, Tomas Sikola and Miroslav Kolibal*, Collector Droplet Behavior during Formation of Nanowire Junctions, J. Phys. Chem. Lett., 11, 6498-6504 (2020).
  4. Y. Yin, N. R. Bertin, Y. Wang, Z. Bao and W. Cai*, Topological Origin of Strain Induced Damage of Elastomers by Bond Breaking, Extreme Mech. Lett., 40, 100883 (2020).
  5. T. W. Nam, M. Kim, Y. Wang, G. Y. Kim, W. Choi, H. Lim, K. M. Song, D. Y. Jeon, J. C. Grossman and Y. S. Jung*, Thermodynamic-Driven Full-Colour Quantum Dot Patterning for Light-Emitting Diodes beyond the Eye-Limiting Resolution, Nat. Commun., 11, 3040 (2020).
  6. Y. Wang#,*, T. Xie#, A. France-Lanord, A. Berkley, J. A. Johnson, Y. Shao-Horn and J. C. Grossman*, Toward Designing Highly Conductive Polymer Electrolytes by Machine Learning Assisted Coarse-Grained Molecular Dynamics, Chem. Mater., 32(10), 4144-4151 (2020).
  7. A. France-Lanord, Y. Wang, T. Xie, Y. Shao-Horn, and J. C. Grossman*, Modelling the Effect of Chemical Variations on Lithium Transport in Poly(ethylene oxide)-Based Polymer Electrolytes at High Salt Concentration, Chem. Mater., 32(1), 121-126 (2020).

Before 2020

  1. B. Jin, C. Shao, Y. Wang, Z. Mu, Z. Liu* and R. Tang*, Anisotropic Epitaxial Behavior in the Amorphous Phase-Mediated Hydroxyapatite Crystallization Process: A New Understanding of Orientation Control, J. Phys. Chem. Lett., 10, 7611-7616 (2019).
  2. Y. Wang*, A. C. Meng, P. C. McIntyre and W. Cai*, Phase-Field Investigation of the Stages in Radial Growth of Core-Shell Ge/Ge1−xSnx Nanowires, Nanoscale, 11, 21974-21980 (2019).
  3. Y. Kim, Y. Wang#, A. France-Lanord#, Y. Wang, Y. M. Wu, S. Lin, Y. Li, J. C. Grossman* and T. M. Swager*, Ionic Highways in Pyrazolium Cross-Linked Triptycene Polymers for Anion Exchange Membrane Fuel Cells, J. Am. Chem. Soc., 41(45), 18152-18159 (2019).
  4. T. Xie, A. France-Lanord, Y. Wang, Y. Shao-Horn and J. C. Grossman*, Graph Dynamical Networks for Unsupervised Learning of Atomic Scale Dynamics in Materials, Nat. Commun., 10, 2667 (2019).
  5. B. Jin, Y. Wang, Z. Liu, A. France-Lanord, J. C. Grossman, C. Jin* and R. Tang*, Revealing the Cluster-Cloud and Its Role in Nanocrystallization, Adv. Mater., 30, 1808225 (2019).
  6. A. C. Meng, M. R. Braun, Y. Wang, C. S. Fenrich, M. Xue, D. R. Diercks, B. P. Gorman, M-I. Richard, A. F. Marshall, W. Cai, J. S. Harris, and P. C. McIntyre*, Coupling of Coherent Misfit Strain and Composition Distributions in Core-shell Ge/Ge1−xSnx Nanowire Light Emitters, Mater. Today Nano, 5, 100026 (2019).
  7. Y. Wang*, P. Woytowitz, D. Mui and W. Cai*, Stability of Nano-Fin Arrays Against Collapse Predicted by Phase Field Modeling, J. Vac. Sci. Technol. B, 36(5), 051602 (2018).
  8. X. Zhang, Y. Wang and W. Cai*, Anisotropy Effect on Strain Induced Instability during Growth of Heteroepitaxial Films, J. Mater. Sci., 53(8), 5777-5785 (2018).
  9. J. Wang#,*, Y. Wang#, W. Cai*, J. Li, Z. Zhang and S. X. Mao*, Discrete Shear Band Plasticity through Dislocation Activities in Body-Centered Cubic Tungsten Nanowires, Sci. Rep., 8, 4574 (2018).
  10. Y. Wang, A. Santana* and W. Cai, Atomistic Mechanisms of Orientation and Temperature Dependence in Gold-Catalyzed Silicon Growth, J. Appl. Phys., 122(8), 085106 (2017).
  11. R. Ramachandramoorthy#, Y. Wang#, A. Aghaei, G. Richter, W. Cai* and H. D. Espinosa*, Reliability of Single Crystal Silver Nanowire-Based Systems: Stress Assisted Instabilities, ACS Nano, 11(5), 4768-4776 (2017). 
  12. Y. Wang*, P. C. McIntyre and W. Cai*, Phase Field Model for Morphological Transition in Nanowire Vapor-Liquid-Solid Growth, Cryst. Growth Des., 17(4), 2211-2217 (2017).
  13.  J. Xu#, S. Wang#, G.-J. N. Wang, C. Zhu, S.  Luo, L. Jin, X. Gu, S. Chen, V. R. Feig, J. W. F. To, S. Rondeau-Gagné, J. Park, B. C. Schroeder, C. Lu, J. Y. Oh, Y. Wang, Y.-H. Kim, H. Yan, R. Sinclair, D. Zhou, G. Xue, B. Murmann, C. Linder, W. Cai, J. B.-H. Tok, J. W. Chung* and Z. Bao*, Highly Stretchable Polymer Semiconductor Films through Nanoconfinement Effect, Science, 355(6320), 59-64 (2017).
  14. Y. Wang, A. Santana* and W. Cai, Au-Ge MEAM Potential Fitted to the Binary Phase Diagram, Modelling Simul. Mater. Sci. Eng., 25, 025004 (2016).
  15. Y. Li#, Y. Wang#,*, S. Ryu, A. F. Marshall, W. Cai and P. C. McIntyre, Spontaneous, Defect-Free Kinking via Capillary Instability during Vapor-Liquid-Solid Nanowire Growth, Nano Lett., 16(3), 1713-1718 (2016).
  16. L. Zhang, Y. Shen*, L. Zhang, Y. Wang, X. Xiong and L. Zhang, Effects of Interface Anisotropy and Isotropic Driving Force on the Growth of Steady-State Shape in Phase-field Modeling, Comput. Mater. Sci., 111, 313-321 (2016).
  17. Y. Wang* and W. Cai, Evaluation of the Surface Tension of Silicon-Gold Binary Liquid Alloy, Mater. Sci. Forum, 817, 772 (2015).
  18. H. Wang, Y. Wang, B. C.-K. Tee, K.P. Kim, J. Lopez, W. Cai and Z. Bao*, Shape-Controlled, Self-Wrapped Carbon Nanotube 3D Electronics, Adv. Sci., 2(9) (2015).
  19. S. Xu, D. Thian, S. Wang, Y. Wang and F. B. Prinz*, Effects of Size Polydispersity on Electron Mobility in a Two-Dimensional Quantum-Dot Superlattice, Phys. Rev. B, 90, 144202 (2014).
  20. Y. Wang, S. Ryu, P. C. McIntyre and W. Cai*, A Three-Dimensional Phase Field Model for Nanowire Growth by the Vapor-Liquid-Solid Mechanism, Modelling Simul. Mater. Sci. Eng., 22, 055005 (2014).