Chun-Wei Pao 包淳偉
Research Fellow

Ways to contact me：

E-mail:cwpaogate.sinica.edu.tw
Phone:02-2787-3145
Fax: 02-2787-3122
Website:http://www.rcas.sinica.edu.tw/~cwpao
Address: Research Center for Applied Sciences, Academia Sinica
128 Sec. 2, Academia Rd., Nankang, Taipei 11529, Taiwan
中央研究院應用科學研究中心
台北市11529南港區研究院路二段128號

Education：

Experience：

Research Fields：

  • Atomistic simulation of chemically complex systems (e.g. mixed ion perovskite materials and high entropy alloys) using machine learning.

  • Multiscale simulations of structural properties of emitting layer of OLEDs and photoactive layer of organic solar cells.

  • Large-scale molecular simulation of self-fold nanostructures

  • Lithium platting simulation using phase field models.

Recent Publications：

  1. Bo-Han Lin, Yung-Chun Chao, I−Ta Hsieh, Chih-Piao Chuu, Chien-Ju Lee, Fu-Hsien Chu, Li-Syuan Lu, Wei-Ting Hsu, Chun-Wei Pao, Chih-Kang Shih*, Jung-Jung Su*, and Wen-Hao Chang* (2023), "Remarkably Deep Moiré Potential for Intralayer Excitons in MoSe2/MoS2 Twisted Heterobilayers", Nano Letters (in press).
    [ DOI:10.1021/acs.nanolett.2c04524 ]

  2. Rohan Paste, Chintam Hanmandlu, Po-Yu Su, Cheng-Hung Hou, Hsin-An Chen, Chun-Wei Pao, Jing-Jong Shyue, Kuei-Hsien Chen, Heng-Liang Wu, Hong-Cheu Lin, Chih Wei Chu* (2023), "Intimate interaction of TFSI− anions with MoO3− x oxygen vacancies boost ionic conductivity of cathode-supported solid polymer electrolyte", Chemical Engineering Journal 452, 139088.
    [ DOI:10.1016/j.cej.2022.139088 ]

  3. P-C Hsu, You-Chen Lin, Wei-Hsuan Wu, Chun-Wei Pao, Chih-Hung Chen* (2022), "Atomistic Investigation of Solid Electrolyte Interphase: nanostructure, Chemical Composition and Mechanical Properties", Journal of Electrochemical Society 12, 120520
    [ DOI:10.1149/1945-7111/acaad2 ]

  4. Syed Ali Abbas, Hsin‐An Chen, Anisha Mohapatra, Anupriya Singh, Shenghan Li, Chun‐Wei Pao, Chih Wei Chu* (2022), "Sweetening Lithium Metal Interface by High Surface and Adhesive Energy Coating of Crystalline α‐d‐Glucose Film to Inhibit Dendrite Growth", Small 18, 2201349
    [ DOI:10.1002/smll.202201349 ]

  5. Li‐Yun Su, Hsin‐Hsiang Huang, Chang‐En Tsai, Cheng‐Hung Hou, Jing‐Jong Shyue, Chien‐Hao Lu, Chun‐Wei Pao, Ming‐Hsuan Yu, Leeyih Wang*, Chu‐Chen Chueh* (2022), "Improving Thermal and Photostability of Polymer Solar Cells by Robust Interface Engineering", Small 18, 2107834
    [ DOI:10.1002/smll.202107834 ]

  6. Svetozar Najman, Hsin-An Chen, Hsin-Yi Tiffany Chen*, Chun-Wei Pao* (2021), “ Structural and Electronic Properties of Intertwined Defect in Ruddlesden–Popper 2D Perovskites Study Using Density Functional Theory Calculations”, Multiscale Science and Engineering 3, 205
    [ DOI:10.1007/s42493-021-00070-9 ]

  7. Quanfeng He , J.G. Wang , Hsin-An Chen , Z.Y. Ding , Z.Q. Zhou , L.H. Xiong , Junhua Luan , J.M. Pelletier , J.C. Qiao , Q. Wang , L.L. Fan , Yang Ren , Qiaoshi Zeng , Chain Liu , C.W. Pao*, David Srolovitz*, Yong Yang* (2022), “ A Highly Distorted Ultra-Elastic Chemically Complex Elinvar Alloy”, Nature 602, 251.
    [ DOI:10.1038/s41586-021-04309-1 ]

  8. Chintam Hanmandlu, Mamina Sahoo, Chi-Ching Liu, Hsin-An Chen, Chun-Wei Pao, Yun-Chorng Chang, Chih-Wei Chu*, Chao-Sung Lai* (2021), “ Few-layer fluorine-functionalized graphene hole-selective contacts for efficient inverted perovskite solar cells”, Chemical Engineering Journal 430, 132831.
    [ DOI:10.1016/j.cej.2021.132831 ]

  9. Q.F. He*, P.H. Tang, H.A. Chen, S. Lan, J.G. Wang, J.H. Luan, M. Du, Y. Liu, C.T. Liu, C.W. Pao*, Y. Yang* (2021), “Understanding chemical short-range ordering/demixing coupled with lattice distortion in solid solution high entropy alloys”, Acta Materialia 216, 117140..
    [ DOI:10.1016/j.actamat.2021.117140 ]

  10. Febri Baskoro, Hui Qi Wong, Kristin B. Labasan, Chen-Wei Cho, Chun-Wei Pao, Po-Yu Yang, Chien-Cheng Chang, Chih-I Chen, Chu-Chen Chueh, Wanyi Nie*, Hsinhan Tsai*, and Hung-Ju Yen* (2021), "An Efficient and Reversible Battery Anode Electrode Derived from a Lead-Based Metal–Organic Framework", Energy & Fuels 35, 9669
    [ DOI:10.1021/acs.energyfuels.1c00517 ]

  11. Hsin-An Chen, Ping-Han Tang, Guan-Jie Chen, Chien-Cheng Chang*, Chun-Wei Pao* (2021), "Microstructure Maps of Complex Perovskite Materials from Extensive Monte Carlo Sampling Using Machine Learning-Enabled Energy Model", Journal of Physical Chemistry Letters 12, 3591.
    [ DOI:10.1021/acs.jpclett.1c00410 ]

  12. Po-Yu Yang, Chun-Wei Pao (2021), "Molecular Simulations of the Microstructure Evolution of Solid Electrolyte Interphase during Cyclic Charging/Discharging", ACS Applied Materials & Interfaces, 13, 5017.
    [ DOI:10.1021/acsami.0c18783 ]

  13. Chih-Hung Chen, Chun-Wei Pao (2021), "Phase-field study of dendritic morphology in lithium metal batteries", Journal of Power Sources 484, 229203
    [ DOI:10.1016/j.jpowsour.2020.229203 ]

  14. Hsin-An Chen, Po-Hsiang Lee, Chun-Wei Pao (2020), "Atomistic Structures and Energetics of Perovskite Nucleation Pathway During Sequential Deposition Process", Multiscale Science and Engineering 2, 227.
    [ DOI:10.1007/s42493-020-00044-3 ]

  15. Svetozar Najman, Hsin-An Chen, Hsin-Yi Tiffany Chen, Chun-Wei Pao (2020), "Surface structures and equilibrium shapes of layered 2D Ruddlesden-Popper perovskite crystals from density functional theory calculations", Materials Today Communications 26, 101745.
    [ DOI:10.1016/j.mtcomm.2020.101745 ]

  16. Ping-Han Tang, Ping-Hong Chen, Fang-Cheng Li, Chien-Hao Lu, Ching-I Huang, and Chun-Wei Pao* (2020), "Multiscale molecular simulations of the morphological evolution of small-molecule organic solar cells during the vacuum codeposition process", Physical Review Materials 4, 095601.
    [ DOI:10.1103/PhysRevMaterials.4.095601 ]

  17. Chiao-Wei Tseng, Ding-Chi Huang, Han-Li Yang, Hsieh-Cheng Lin, Fang-Cheng Li, Chun-Wei Pao, Yu-Tai Tao* (2020), "Self‐Assembly Behavior of Diacetylenic Acid Molecules upon Vapor Deposition: Odd‐Even Effect on the Film Morphology", Chemistry - A European Journal 26, 13948

    [ DOI:10.1002/chem.202002227 ]

  18. Anupriya Singh, Svetozar Najman, Anisha Mohapatra, Yu-Jung Lu, Chintam Hanmandlu, Chun-Wei Pao, Yang-Fang Chen, Chao-Sung Lai, Chih Wei Chu* (2020), "Modulating Performance and Stability of Inorganic Lead-Free Perovskite Solar Cells via Lewis-pair mediation", ACS Applied Materials & Interfaces 12, 32649.
    [ DOI:10.1021/acsami.0c06971 ]

  19. Nahid Kaisar, Anupriya Singh, Po-Yu Yang, Yu-Ting Chen, Shenghan Li, Chun-Wei Pao, S Jou, Chih-Wei Chu* (2020), "Long-Lifespan Lithium-Metal Batteries Obtained Using Perovskite Intercalation Layer to Stabilize Lithium Electrode", Journal of Materials Chemistry A 8, 9137
    [ DOI:10.1039/D0TA02061C ]

  20. Chintam Hanmandlu, Satyanarayana Swamy, Anupriya Singh, Hsin-An Chen, Anisha Mohapatra, Chi-Ching Liu, Chao-Sung Lai, Chun-Wei Pao, Peilin Chen, Chih Wei Chu (2020), "Suppression of Surface Defects to Achieve Hysteresis-Free Inverted Perovskite Solar Cells via Quantum Dots Passivation", Journal of Materials Chemistry A 8, 5263.
    [ DOI:10.1039/C9TA12904A ]

  21. Kuan-Chao Chen, Lun-Ming Lee, Hsuan-An Chen, Hsu Sun, Cheng-Lun Wu, Hsin-An Chen, Kuan-Bo Lin, Yen-Chun Tseng, Chao-Cheng Kaun, Chun-Wei Pao, Shih-Yen Lin* (2019) "Multi-layer Elemental 2D Materials Antimonene, Germanene and Stanene Grown Directly on Molybdenum Disulfides", Semiconductor Science and Technology 34, 105020.

  22. Hsin-An Chen and Chun-Wei Pao* (2019), "Fast and Accurate Artificial Neural Network Potential Model for MAPbI3 Perovskite Materials", ACS Omega 4, 10950.
    [ DOI:10.1021/acsomega.9b00378 ]

  23. Hsuan-Ta Wu, You-Chun Su, Chun-Wei Pao*, and Chuan-Feng Shih* (2019), "ZnO/Silicon-Rich Oxide Superlattices with High Thermoelectric Figure of Merit: A Comprehensive Study by Experiment and Molecular Dynamic Simulation", ACS Applied Materials & Interfaces 11, 13507.
    [ DOI:10.1021/acsami.8b20725 ]

  24. Hsuan-Ta Wu, Chun-Wei Pao, You-Chun Su, Chuan-Feng Shih (2019), "Al-Doped ZnO/Silicon-rich Oxide Superlattices with High Room-Temperature Thermoelectric Figure of Merit", Materials Letters 245, 33-36.
    [ DOI:10.1016/j.matlet.2019.02.063 ]

  25. Nahid Kaisar, Syed Ali Abbas, Jiang Ding, Hsin-An Chen, Chun-Wei Pao, Karunakara Moorthy Boopathi, Anisha Mohapatra, Yu-Ting Chen, Sheng-Hui Wu, Jason Fang, S Jou, Chih Wei Chu (2019), "Lithium passivated MoO3 nanobelts decorated polypropylene separator for fast-charging long-life Li-S battery", Nanoscale 11, 2892.
    [ DOI:10.1039/C8NR08262F ]

  26. Yu-Ting Chen, Syed Ali Abbas, Nahid Kaisar, Sheng Hui Wu, Hsin-An Chen, Karunakara Moorthy Boopathi, Mriganka Singh, Jason Fang, Chun-Wei Pao, and Chih Wei Chu (2018), "Mitigating Metal Dendrite Formation in Lithium–Sulfur Batteries via Morphology–Tunable Graphene Oxide Interfaces", ACS Applied Materials & Interfaces 11, 2060.
    [ DOI:10.1021/acsami.8b18379 ]

  27. Yu-Xuan Wang, Hsin-An Chen, Chun-Wei Pao*, Chien-Cheng Chang (2019), "Artificial Neural Network Model for Atomistic Simulations of Sb/MoS2 van der Waals Heterostructures", Multiscale Science and Engineering 1, 119.
    [ DOI:10.1007/s42493-018-00004-y ]

  28. Cheng-Lun Wu, Hsiang-Ting Li, Hsuan-An Chen, Shih-Yen Lin, Min-Hsiung Shih, Chun-Wei Pao* (2018) "Defect Formation and Modulation during Patterning Supported Graphene Sheets Using Focused Ion Beams", Materials Today Communications 17, 60-68.
    [ DOI:10.1016/j.mtcomm.2018.08.006 ]

  29. Hsuan-An Chen, Hsu Sun, Chong-Rong Wu, Po-Hsiang Lee, Chun-Wei Pao, Shih-Yen Lin* (2018), "Single-Crystal Antimonene Films Prepared by Molecular Beam Epitaxy: Selective Growth and Contact Resistance Reduction of the 2D Material Hetero-structure", ACS Applied Materials & Interfaces 10>, 15058.
    [ DOI:10.1020/acsami.8b02394 ]

  30. Yu-Bing Lan, Pin-Hao Sher, Cheng-Kuang Lee, Chun-Wei Pao*, Cheng-Si Tsao*, Yu-Ching Huang, Ping-Tsung Huang; Chih-I Wu, Juen-Kai Wang*(2017), "Revealing Ordered Polymer Packing during Freeze-Drying Fabrication of BHJ P3HT:PCBM Layer: In Situ Optical Spectroscopy, Molecular-Dynamic Simulation and X-ray Diffraction", Journal of Physical Chemistry C 121, 14826.
    [ DOI:10.1021/acs.jpcc.7b01679 ]

  31. Cheng-Lun Wu, Fang-Cheng Li, Chun-Wei Pao*, David J. Srolovitz* (2017), "Folding Sheets with Ion Beams", Nano Letters 17, 249-254.
    [ DOI:10.1021/acs.nanolett.6b03976 ]

  32. Ramon Valencia Maturana and Chun-Wei Pao* (2017), "Electronic and carrier transport properties of small molecule donors", Coupled Systems Mechanics 6 75-96.
    [ DOI:10.12989/csm.2017.6.1.075 ]

  33. Cheng-Kuang Lee, Chun-Wei Pao* (2016), "Multiscale Molecular Simulation of Solution Processing of SMDPPEH:PCBM Small Molecule Organic Solar Cells", ACS Applied Materials & Interfaces 8, 20691-20700
    [ DOI:10.1021/acsami.6b05027 ]

  34. Ilias Amanatidis, Jing-Yao Kao, Li-Yang Du, Chun-Wei Pao, Yu-Chang Chen* (2016), "Thermoelectric Efficiency of Single-Molecule Junctions: Phase Diagram Constructed from First-Principles Calculations", Journal of Physical Chemistry C 119, 28728-28736.
    [ DOI:10.1021/acs.jpcc.5b09221 ]

  35. Meng-Yu Lin, Cheng-Hung Wang, Chun-Wei Pao, Shih-Yen Lin* (2015), "Transferring-free and large-area graphitic carbon film growth by using molecular beam epitaxy at low growth temperature", Journal of Crystal Growth, 425, 177-180.
    [ DOI:10.1016/j.jcrysgro.2015.02.039 ]

  36. Cheng-Kuang Lee, Chun-Wei Pao*, Berend Smit* (2015),"PSII-LHCII Supercomplex Organizations in Photosynthetic Membrane by Coarse-Grained Simulation", Journal of Physical Chemistry B, 119, 3999.
    [ DOI:10.1021/jp511277c ]

  37. Cheng-Kuang Lee, Olga Wodo, Baskar Ganapathysubramonian*, Chun-Wei Pao* (2014), "Electrode Materials, Thermal Annealing Sequences, and Lateral/Vertical Phase Separation of Polymer Solar Cells from Multiscale Molecular Simulations", ACS Applied Materials & Interfaces,6, 20612.
    [ DOI:10.1021/am506015r ]

  38. Cheng-Kuang Lee, Chun-Wei Pao* (2014), "Nanomorphology Evolution of P3HT:PCBM Blends during Solution-Processing from Coarse-Grained Molecular Simulations", Journal of Physical Chemistry C 118, 11224.
    [ DOI:10.1021/jp501323p ]

  39. Te-Huan Liu, Chun-Wei Pao*, Chien-Cheng Chang* (2014), "Anisotropic thermal conductivity of MoS2 nanoribbons: Chirality and edge effects", Applied Physics Letters 104, 201909.
    [ DOI:10.1063/1.4878395 ]

  40. Te-Huan Liu, Chun-Wei Pao*, Chien-Cheng Chang* (2014), "Mechanical mutability of polycrystalline graphene from atomistic simulations", Computational Materials Science 91, 56.
    [ DOI:10.1016/j.commatsci.2014.04.031 ]

  41. Chang-Wen Chen, Zheng-Yu Huang, Yi-Min Lin, Wei-Ching Huang, Yi-Hong Chen, Joseph Strzalka, Angela Y. Chang, Richard D. Schaller, Cheng-Kuang Lee, Chun-Wei Pao, and Hao-Wu Lin* (2014), "Morphology, Molecule Stacking, Carrier Dynamics and Device Performance Correlations in Vacuum-Deposited Small-Molecule Organic Solar Cells", Physical Chemistry Chemical Physics 16, 8852.

    [ DOI:10.1039/C3CP55385J ]

  42. Te-Huan Liu, Shang-Chin Lee, Chun-Wei Pao*, Chien-Cheng Chang* (2014), "Anomalous thermal transport along the grain boundaries of bicrystalline graphene nanoribbons from atomistic simulations", CARBON 73, 432.
    [ DOI:10.1016/j.carbon.2014.03.005 ]

  43. Te-Huan Liu, Chun-Wei Pao*, Chien-Cheng Chang* (2013), "An Analytical Model for Calculating Thermal Properties of 2D Nanomaterials", Applied Physics Letters 103, 171909.
    [ DOI:10.1063/1.4826693 ]

  44. Dhananjaya Patra, Tzu-Yen Huang, Chao-Cheng Chiang, Ramon Orlando Valencia Maturana, Chun-Wei Pao, Kuo-Chuan Ho, Kung-Hwa Wei, and Chih-Wei Chu* (2013),"2-Alkyl-2-thienyl–Substituted Benzo[1,2-b:4,5-b´]dithiophene-Based Donor Molecules for Solution-Processed Organic Solar Cells", ACS Applied Materials & Interfaces 5, 9494.
    [ DOI:10.1021/am4021928 ]

  45. Wei-Hsun Lin, Kai-Wei Wang, Yu-An Liao, Chun-Wei Pao, and Shih-Yen Lin* (2013), "The Formation Mechanisms and Optical Characteristics of GaSb Quantum Rings", Journal of Applied Physics 114 053509.
    [ DOI:10.1063/1.4817419 ]

  46. Te-Huan Liu, Chun-Wei Pao*, Chien-Cheng Chang* (2013), "Thermal response of grain boundaries in graphene sheets under shear strain from atomistic simulations", Computational Materials Science, 70, 163.
    [ DOI:10.1016/j.commatsci.2012.12.037 ]

  47. Cheng-Kuang Lee, Chun-Wei Pao*, Chun-Wei Chen (2013), "Correlation of nanoscale organizations of polymer and nanocrystals in polymer/inorganic nanocrystal bulk heterojunction hybrid solar cells: insights from multiscale molecular simulations", Energy & Environmental Science 6, 307.
    [ DOI:10.1039/C2EE23372J ]

  48. Bo Song, Jacob Jansen, Frans D. Tichelaar, Henny W. Zandbergen, Grzegorz Gajewski, Chun-Wei Pao, David J. Srolovitz (2013), “In situ transmission electron microscopy and first-principles study of Au(100) surface dislocation dynamics”, Surface Science 608, 154.
    [ DOI:10.1016/j.susc.2012.10.003 ]

  49. Wen-Jay Lee, Chun-Wei Pao, Yeng-Tseng Wang, Wan-Sheng Su, Jee-Gong Chang* (2012), "Diffusion of the Vacancy Defect Leading to the Formation of Multi-Shell Structure", Journal of Applied Physics 112, 114301.
    [ DOI:10.1063/1.4766406 ]

  50. Meng-Yu Lin, Wei-Ching Guo, Meng-Hsun Wu, Pro-Yao Wang, Te-Huan Liu, Chun-Wei Pao, Chien-Cheng Chang, Shih-Yen Lin* (2012), ``Low-Temperature Grown Graphene Films by Using Molecular Beam Epitaxy'', Applied Physics Letters 101, 221911.
    [ DOI:10.1063/1.4768948 ]

  51. Chih-Cheng Lin, Po-Hsun Ho, Chi-Liang Huang, Chao-Hung Du, Chen-Chieh Yu, Hsuen-Li Chen, Yun-Chieh Yeh, Shao-Sian Li, Cheng-Kuang Lee, Chun-Wei Pao, Ching-Pin Chang, Ming-Wen Chu, Chun-Wei Chen* (2012), "Dependence of Nanocrystal Dimensionality on the Polymer Nanomorphology, Anisotropic Optical Absorption and Carrier Transport in P3HT:TiO2 Bulk Heterojunctions", Journal of Physical Chemistry C 116, 25081.
    [ DOI:10.1021/jp306921e ]

  52. Wen-Jay Lee, Chun-Wei Pao, Jee-Gong Chang* (2012), "Helical Multi-Shell Structures in Gold Nanobridge and Suspending Nanowire", Journal of Nanoparticle Research 14, 1058.
    [ DOI:10.1007/s11051-012-1058-3 ]

  53. Cheng-Kuang Lee, Chun-Wei Pao* (2012), "Solubility of [6,6]-Phenyl-C61-butyric Acid Methyl Ester and Optimal Blending Ratio of Bulk Heterojunction Polymer Solar Cells", Journal of Physical Chemistry C 116, 12455
    [ DOI:10.1021/jp3028947 ]

  54. Te-Huan Liu, Chun-Wei Pao*, Chien-Cheng Chang* (2012), "Effects of dislocation densities and distributions on graphene grain boundary failure strengths from atomistic simulations", CARBON 50, 3465
    [ DOI:10.1016/j.carbon.2012.03.012 ]

  55. Chun-Wei Pao*, Te-Huan Liu, Chien-Cheng Chang*, David J. Srolovitz (2012), "Graphene defect polarity dynamics", CARBON 50, 2870
    [ DOI:10.1016/j.carbon.2012.02.055 ]

  56. Ang-Yu Lu , Sung-Yen Wei , Chih-Yu Wu , Yenny Hernandez , Tzu-Yin Chen , Chun-Wei Pao, Fu-Rong Chen , Lain-Jong Li* and Zhen-Yu Juang* (2012), "Decoupling of CVD graphene by controlled oxidation of recrystallized Cu", RSC Advances 2, 3008-13
    [ DOI:10.1039/C2RA01281B ]

  57. Grzegorz Gajewski, Chun-Wei Pao* (2011), "Ab Initio Calculations of the Reaction Pathways for Methane Decomposition Over the Cu (111) Surface", Journal of Chemical Physics 135, 064707.
    [ DOI:10.1063/1.3624524 ]

  58. Cheng-Kuang Lee, Chun-Wei Pao*, Chih-Wei Chu (2011), "Multiscale molecular simulations of the nanoscale morphologies of P3HT:PCBM blends for bulk heterojunction organic photovoltaic cells", Energy & Environmental Science 4, 4124.
    [ DOI:10.1039/C1EE01508G ]

  59. Te-Huan Liu, Grzegorz Gajewski, Chun-Wei Pao*, Chien-Cheng Chang* (2011), "Structure, energy, and structural transformations of graphene grain boundaries from atomistic simulations", CARBON 49, 2306-17
    [ DOI:10.1016/j.carbon.2011.01.063 ]

  60. Chun-Wei Pao*, Stephen M. Foiles, Edmund B. Webb III, David J. Srolovitz and Jerrold A. Floro (2009), "Atomistic simulations of the stress and microstructure evolution during poly-crystalline Ni film growth", Physical Review B 79, 224113.
    [ DOI:10.1103/PhysRevB.79.224113 ]

  61. Chun-Wei Pao* and David J. Srolovitz (2008), "Compressive lm stresses in a thin, tensile heteroepitaxial fi lm", Applied Physics Letters 93, 011903.
    [ DOI:10.1063/1.2955833 ]

  62. Chun-Wei Pao*, Stephen M. Foiles, Edmund B. Webb III, David J. Srolovitz and Jerrold A. Floro (2007), "Thin fi lm compressive stresses due to adatom insertion into grain boundaries", Physical Review Letters 99, 036102.
    [ DOI:10.1103/PhysRevLett.99.036102 ]

  63. Chun-Wei Pao*, David J. Srolovitz, and Henny W. Zandbergen (2007), "Thermodynamic and kinetic properties of surface dislocations on Au (001) from atomistic simulations", Physical Review B 75, 195405; selected in Virtual Journal of Nanoscale Science and Technology 15, May 14.
    [ DOI:10.1103/PhysRevB.75.195405 ]

  64. Henny W. Zandbergen*, Chun-Wei Pao, and David J. Srolovitz (2007), "Dislocation Injection, Reconstruction, and Atomic Transport on {001} Au Terraces", Physical Review Letters 98, 036103; highlighted in the Research News section of Nano Today in April, 2007.
    [ DOI:10.1103/PhysRevLett.98.036103 ]

  65. Chun-Wei Pao* and David J. Srolovitz (2006), "Atomistic simulation of stress evolution during island growth", Journal of the Mechanics and Physics of Solids 54, 2527-2543.
    [ DOI:10.1016/j.jmps.2006.07.008 ]

  66. Chun-Wei Pao*, David J. Srolovitz, and Carl V. Thompson (2006), "E ffects of surface defects on surface stresses of Cu (001) and (111)", Physical Review B 74, 155437; selected in Virtual Journal of Nanoscale Science and Technology 14, November 1.
    [ DOI:10.1103/PhysRevB.74.155437 ]

  67. Chun-Wei Pao* and David J. Srolovitz (2006), "Stress and morphology evolution during island growth", Physical Review Letters 96, 186103.
    [ DOI:10.1103/PhysRevLett.96.186103 ]