{"id":40,"date":"2021-11-15T23:17:42","date_gmt":"2021-11-15T23:17:42","guid":{"rendered":"https:\/\/samtari.com\/?page_id=40"},"modified":"2025-03-17T14:07:58","modified_gmt":"2025-03-17T14:07:58","slug":"my-publications","status":"publish","type":"page","link":"https:\/\/samtari.com\/?page_id=40","title":{"rendered":"Publications"},"content":{"rendered":"\n<p class=\"has-medium-font-size\"><strong>Refereed Journal Papers<\/strong><\/p>\n\n\n\n<p><strong>Quanpeng Yang<\/strong>, S. Changlani, N. Zaid, A. Conerly, C. Williams, A. Gulyuk, R. Chirkova, Y. Yingling. Using Data Science and AI Approaches toward Science and Technology Convergence Research (In preparation)<\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><strong>Quanpeng Yang<\/strong>, Safak Callioglu, and Gaurav Arya (2024). A Machine Learning van der Waals Potential and Monte Carlo Simulation Python Package. Full Text<\/p>\n\n\n\n<figure class=\"wp-block-audio\"><audio controls src=\"https:\/\/samtari.com\/wp-content\/uploads\/2024\/09\/A_Machine_Learning_Force_Field_Method_and_Monte_Carlo_Simulations_Framework_for_Nanocubes_with_Arbitrary_Sizes.wav\"><\/audio><\/figure>\n\n\n\n<p><strong>Quanpeng Yang<\/strong>, Safak Callioglu, Joseph Laforet Jr., Yuanchuan Shao, and Gaurav Arya (2024) Cluster-Move Monte Carlo Simulation with Analytical van der Waals Potential. Full Text<\/p>\n\n\n\n<figure class=\"wp-block-audio\"><audio controls src=\"https:\/\/samtari.com\/wp-content\/uploads\/2024\/09\/A_Monte_Carlo_Simulation_Framework_with_Parallel_Computing_for_Nanocubes-1.wav\"><\/audio><\/figure>\n\n\n\n<p>Wang,<strong> Y.*<\/strong>, Zhou, Y.<strong>*<\/strong>, <strong>Quanpeng Yang<\/strong>, Basak, R., Xie, Y.,  Le, D., Shipley, W., Frano, A., Arya, G., and Tao, A. (2023). A MultiphysicsApproach for Self-Assembly of Nanocrystal Checkerboards via Non-Specific Interactions. Nature Communications. <strong>15<\/strong>, 3913. <a href=\"https:\/\/doi.org\/10.1038\/s41467-024-47572-2\">https:\/\/doi.org\/10.1038\/s41467-024-47572-2<\/a> <\/p>\n\n\n\n<figure class=\"wp-block-audio\"><audio controls src=\"https:\/\/samtari.com\/wp-content\/uploads\/2024\/09\/A-MultiphysicsApproach-for-Self-Assembly-of-Nanocrystal-Checkerboards-via-Non-Specific-Interactions.wav\"><\/audio><\/figure>\n\n\n\n<p>Jose Cobena-Reyes, <strong>Quanpeng Yang<strong>, <\/strong><\/strong>A.<em>, Burns,<\/em> Stober, S. T., and Martini, A.,(2023).Probabilistic approach to low strain rate atomistic simulations of ultimate tensile strength of polymer crystals. Journal of Chemical Theory and Computation. 19, 18. <a href=\"https:\/\/doi.org\/10.1021\/acs.jctc.3c00570\">https:\/\/doi.org\/10.1021\/acs.jctc.3c00570<\/a><meta charset=\"utf-8\"><\/meta><\/p>\n\n\n\n<figure class=\"wp-block-audio\"><audio controls src=\"https:\/\/samtari.com\/wp-content\/uploads\/2024\/09\/Probabilistic-Approach-to-Low-Strain-Rate-Atomistic-Simulations-of-Ultimate-Tensile-Strength-of-Polymer-Crystals.pdf.wav\"><\/audio><\/figure>\n\n\n\n<p>Panwar, P., <strong><meta charset=\"utf-8\"><strong>Quanpeng Yang<\/strong><\/strong>, and Martini, A. (2023). Temperature-Dependent Density and Viscosity Prediction of Hydrocarbons: Machine Learning and Molecular Dynamics Simulations. Journal of Chemical Information and Modeling. <a href=\"https:\/\/doi.org\/10.1021\/acs.jcim.3c00231\">https:\/\/doi.org\/10.1021\/acs.jcim.3c00231<\/a><\/p>\n\n\n\n<figure class=\"wp-block-audio\"><audio controls src=\"https:\/\/samtari.com\/wp-content\/uploads\/2024\/09\/Temperature-dependent-density-and-viscosity-prediction-for-hydrocarbons-machine-learning-and-molecular-dynamics-simulations.pdf.wav\"><\/audio><\/figure>\n\n\n\n<p>Panwar, P., <meta charset=\"utf-8\"><strong>Quanpeng Yang<\/strong>, and Martini, A. (2023). PyL3dMD: Python LAMMPS 3D Molecular Descriptors. <meta charset=\"utf-8\">Journal of Cheminformatics, 15, 69. <a href=\"0.1186\/s13321-023-00737-5\" target=\"_blank\" rel=\"noreferrer noopener\" title=\"https:\/\/doi.org\/10.1186\/s13321-023-00737-5\">DOI: 0.1186\/s13321-023-00737-5<\/a><\/p>\n\n\n\n<figure class=\"wp-block-audio\"><audio controls src=\"https:\/\/samtari.com\/wp-content\/uploads\/2024\/09\/PyL3dMD-Python-LAMMPS-3D-molecular-descriptors-package.wav\"><\/audio><\/figure>\n\n\n\n<p>Pietrangelo, A.<em>, Burns, A.<\/em> B., Charlton, R., DeRocco, M., Gopinadhan, M., Sun, T., Wang, L., Wright, P. J., <meta charset=\"utf-8\">Stober, S. T., <meta charset=\"utf-8\">Quanpeng Yang, and Martini A. <meta charset=\"utf-8\">(2023). Methanol-Assisted ADMET Polymerization of Semiaromatic Amides. <em>ACS Macro Letters<\/em>, 12(5), 605\u2013611. <a href=\"https:\/\/doi.org\/10.1021\/acsmacrolett.3c00115\" target=\"_blank\" rel=\"noreferrer noopener\" title=\"https:\/\/doi.org\/10.1021\/acsmacrolett.3c00115\">DOI: 10.1021\/acsmacrolett.3c00115<\/a> <\/p>\n\n\n\n<figure class=\"wp-block-audio\"><audio controls src=\"https:\/\/samtari.com\/wp-content\/uploads\/2024\/09\/Methanol-Assisted-ADMET-Polymerization-of-Semiaromatic-Amides.wav\"><\/audio><\/figure>\n\n\n\n<p><strong>Quanpeng Yang<strong>, <\/strong><\/strong>Eder, S. J., Martini, A., &amp; Gr\u00fctzmacher, P. G. (2023). Effect of surface termination on the balance between friction and failure of Ti<sub>3<\/sub>C<sub>2<\/sub>T<sub>x <\/sub>MXenes.&nbsp;<em>npj Materials Degradation<\/em>,&nbsp;<em>7<\/em>(1), 6. <a href=\"https:\/\/www.nature.com\/articles\/s41529-023-00326-9\" title=\"http:\/\/10.1038\/s41529-023-00326-9\">DOI: <strong>10.1038\/s41529-023-00326-9<\/strong><\/a><\/p>\n\n\n\n<figure class=\"wp-block-audio\"><audio controls src=\"https:\/\/samtari.com\/wp-content\/uploads\/2024\/09\/Effect-of-surface-termination-on-the-balance-between-friction-and-failure-of-Ti3C2Tx-MXenes.wav\"><\/audio><\/figure>\n\n\n\n<p><strong>Quanpeng Yang<\/strong>, Li, W., Stober, S. T., Burns, A. B., Gopinadhan, M., &amp; Martini, A. (2022). Effect of Aliphatic Chain Length on the Stress\u2013Strain Response of Semiaromatic Polyamide Crystals.&nbsp;<em>Macromolecules<\/em>,&nbsp;<em>55<\/em>(12), 5071-5079. <a href=\"https:\/\/doi.org\/10.1021\/acs.macromol.2c00081\">DOI: 10.1021\/acs.macromol.2c00081<\/a><\/p>\n\n\n\n<figure class=\"wp-block-audio\"><audio controls src=\"https:\/\/samtari.com\/wp-content\/uploads\/2024\/09\/Effect-of-Aliphatic-Chain-Length-on-the-Stress\u2013Strain-Response-of-Semiaromatic-Polyamide-Crystals.wav\"><\/audio><\/figure>\n\n\n\n<p>Ahmad, K., <strong>Quanpeng Yang<\/strong>, &amp; Martini, A. (2022). Simulations of Friction Anisotropy on Self-Assembled Monolayers in Water.&nbsp;<em>Langmuir<\/em>,&nbsp;<em>38<\/em>(20), 6273-6280. <a href=\"https:\/\/doi.org\/10.1021\/acs.langmuir.1c03234\" target=\"_blank\" rel=\"noreferrer noopener\" title=\"https:\/\/doi.org\/10.1021\/acs.langmuir.1c03234\">DOI: 10.1021\/acs.langmuir.1c03234<\/a><\/p>\n\n\n\n<figure class=\"wp-block-audio\"><audio controls src=\"https:\/\/samtari.com\/wp-content\/uploads\/2024\/09\/Simulations-of-Friction-Anisotropy-on-Self-Assembled-Monolayers-in-Water.wav\"><\/audio><\/figure>\n\n\n\n<p><strong>Quanpeng Yang<\/strong>, Li, W., Stober, S. T., Burns, A. B., Gopinadhan, M., &amp; Martini, A. (2021). Molecular Dynamics Simulation of the Stress\u2013Strain Behavior of Polyamide Crystals.&nbsp;<strong><em>Macromolecules<\/em>,&nbsp;<em>54<\/em>(18), 8289-8302.<\/strong>&nbsp;<a href=\"http:\/\/dx.doi.org\/10.1021\/acs.macromol.1c00974\" target=\"_blank\" rel=\"noreferrer noopener\">DOI: 10.1021\/acs.macromol.1c00974<\/a>.<\/p>\n\n\n\n<figure class=\"wp-block-audio\"><audio controls src=\"https:\/\/samtari.com\/wp-content\/uploads\/2024\/09\/Molecular-Dynamics-Simulation-of-the-Stress\u2013Strain-Behavior-of-Polyamide-Crystals.wav\"><\/audio><\/figure>\n\n\n\n<p><strong>Quanpeng Yang<\/strong>, Nanney, W., Hu, X., Ye, T., &amp; Martini, A. (2020). Nanoscale friction of hydrophilic and hydrophobic self-assembled monolayers in water.&nbsp;<strong><em>Tribology Letters<\/em>,&nbsp;<em>68<\/em>, 1-9.<\/strong> &nbsp;<a href=\"http:\/\/dx.doi.org\/10.1007\/s11249-020-01301-0\" target=\"_blank\" rel=\"noreferrer noopener\">DOI: 10.1007\/s11249-020-01301-0<\/a>.<\/p>\n\n\n\n<figure class=\"wp-block-audio\"><audio controls src=\"https:\/\/samtari.com\/wp-content\/uploads\/2024\/09\/Nanoscale-Friction-of-Hydrophilic-and-Hydrophobic-Self\u2011Assembled-Monolayers-in-Water.wav\"><\/audio><\/figure>\n\n\n\n<p>Hu, X., <strong>Quanpeng Yang<\/strong>, Ye, T., &amp; Martini, A. (2020). Simulation of Subnanometer Contrast in Dynamic Atomic Force Microscopy of Hydrophilic Alkanethiol Self-Assembled Monolayers in Water.&nbsp;<em>Langmuir<\/em>,&nbsp;<em><strong>36<\/strong><\/em>(9), 2240-2246.&nbsp;<a href=\"http:\/\/dx.doi.org\/10.1021\/acs.langmuir.9b03655\" target=\"_blank\" rel=\"noreferrer noopener\">DOI: 10.1021\/acs.langmuir.9b03655<\/a>.<\/p>\n\n\n\n<figure class=\"wp-block-audio\"><audio controls src=\"https:\/\/samtari.com\/wp-content\/uploads\/2024\/09\/Simulation-of-Subnanometer-Contrast-in-Dynamic-Atomic-Force-Microscopy-of-Hydrophilic-Alkanethiol-Self-Assembled-Monolayers-in-Water.wav\"><\/audio><\/figure>\n\n\n\n<p>Lai T, Meng Y,<strong> Quanpeng Yang<\/strong> and Huang P. (2018) &#8220;Evolution and level behavior of adhesion force by repeated contacts of an AFM colloid probe in dry environment&#8221;, <em>The Journal of Adhesion<\/em>, <strong>94 <\/strong>(4), 313-333. <a href=\"https:\/\/doi.org\/10.1080\/00218464.2016.1278168\" target=\"_blank\" rel=\"noreferrer noopener\" title=\"10.1080\/00218464.2016.1278168\">DOI: 10.1080\/00218464.2016.1278168<\/a><\/p>\n\n\n\n<figure class=\"wp-block-audio\"><audio controls src=\"https:\/\/samtari.com\/wp-content\/uploads\/2024\/09\/Evolution-and-level-behavior-of-adhesion-force-by-repeated-contacts-of-an-AFM-colloid-probe-in-dry-environment.wav\"><\/audio><\/figure>\n\n\n\n<p><strong>Quanpeng Yang <\/strong> and Huang P. (2016) &#8220;Numerical Calculation of Wear Behavior of Pin and Disk&#8221;, <em>Lubrication Engineering,<\/em> <strong>42<\/strong>, 2, 22-28. <a href=\"https:\/\/www.researchgate.net\/profile\/Quanpeng-Yang\/publication\/309039952_Numerical_Calculation_of_Wear_Behavior_of_Pin_and_Disk\/links\/57ff26e708aeaf819a5c378f\/Numerical-Calculation-of-Wear-Behavior-of-Pin-and-Disk.pdf\" target=\"_blank\" rel=\"noreferrer noopener\" title=\"https:\/\/www.researchgate.net\/profile\/Quanpeng-Yang\/publication\/309039952_Numerical_Calculation_of_Wear_Behavior_of_Pin_and_Disk\/links\/57ff26e708aeaf819a5c378f\/Numerical-Calculation-of-Wear-Behavior-of-Pin-and-Disk.pdf\">Link<\/a><\/p>\n\n\n\n<p><strong><strong>Quanpeng Yang<\/strong> <\/strong>and Huang P. (2016) &#8220;Friction and wear property of glass fiber filled polytetrafluoroethylene (PTFE)&#8221;, <em>Hydromechatronics Engineering,<\/em> <strong>44<\/strong>, 18, 12-18. <a href=\"http:\/\/jdy.qks.cqut.edu.cn\/download.aspx?type=paper&amp;id=1500\" target=\"_blank\" rel=\"noreferrer noopener\" title=\"http:\/\/10.3969\/j.issn. 1001-3881.2016.18.003\">DOI: 10.3969\/j.issn. 1001-3881.2016.18.003<\/a><\/p>\n\n\n\n<figure class=\"wp-block-audio\"><audio controls src=\"https:\/\/samtari.com\/wp-content\/uploads\/2024\/09\/Friction-and-wear-property-of-glass-fiber-filled-polytetrafluoroethylene-PTFE.wav\"><\/audio><\/figure>\n\n\n\n<p class=\"has-medium-font-size\"><strong>Patents<\/strong><\/p>\n\n\n\n<p>Liu X and <strong>Quanpeng Yang<\/strong>. (2016). Hand-held type bathroom wall purger. CN Patent CN205,322,252 U. China National Intellectual Property Administration. <a href=\"https:\/\/patents.google.com\/patent\/CN205322252U\/\" target=\"_blank\" rel=\"noreferrer noopener\" title=\"https:\/\/patents.google.com\/patent\/CN205322252U\/\">Link<\/a><\/p>\n\n\n\n<p>Liu X and <strong>Quanpeng Yang<\/strong>. (2016). Hand-held type bathroom wall cleaning device. CN Patent  CN105,395,143 A. China National Intellectual Property Administration. <a href=\"https:\/\/patents.google.com\/patent\/CN105395143A\/\" target=\"_blank\" rel=\"noreferrer noopener\" title=\"https:\/\/patents.google.com\/patent\/CN105395143A\/\">Link<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Refereed Journal Papers Quanpeng Yang, S. Changlani, N. Zaid, A. Conerly, C. Williams, A. Gulyuk, R. Chirkova, Y. Yingling. Using Data Science and AI Approaches<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"om_disable_all_campaigns":false,"_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"footnotes":""},"_links":{"self":[{"href":"https:\/\/samtari.com\/index.php?rest_route=\/wp\/v2\/pages\/40"}],"collection":[{"href":"https:\/\/samtari.com\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/samtari.com\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/samtari.com\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/samtari.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=40"}],"version-history":[{"count":117,"href":"https:\/\/samtari.com\/index.php?rest_route=\/wp\/v2\/pages\/40\/revisions"}],"predecessor-version":[{"id":688,"href":"https:\/\/samtari.com\/index.php?rest_route=\/wp\/v2\/pages\/40\/revisions\/688"}],"wp:attachment":[{"href":"https:\/\/samtari.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=40"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}