{"id":21,"date":"2022-07-20T11:11:04","date_gmt":"2022-07-20T15:11:04","guid":{"rendered":"https:\/\/sites.bu.edu\/mil\/?page_id=21"},"modified":"2026-05-01T12:25:37","modified_gmt":"2026-05-01T16:25:37","slug":"projects","status":"publish","type":"page","link":"https:\/\/sites.bu.edu\/mil\/projects\/","title":{"rendered":"Research"},"content":{"rendered":"<p><strong>AIMED: <em>Autonomous and Intelligent Multiscale Extraction of Descriptors<\/em><\/strong><img loading=\"lazy\" src=\"\/mil\/files\/2024\/02\/feature_rank_5-636x358.png\" alt=\"\" width=\"696\" height=\"392\" class=\"alignnone wp-image-278\" srcset=\"https:\/\/sites.bu.edu\/mil\/files\/2024\/02\/feature_rank_5-636x358.png 636w, https:\/\/sites.bu.edu\/mil\/files\/2024\/02\/feature_rank_5-1024x576.png 1024w, https:\/\/sites.bu.edu\/mil\/files\/2024\/02\/feature_rank_5-768x432.png 768w, https:\/\/sites.bu.edu\/mil\/files\/2024\/02\/feature_rank_5-1200x675.png 1200w, https:\/\/sites.bu.edu\/mil\/files\/2024\/02\/feature_rank_5-992x558.png 992w, https:\/\/sites.bu.edu\/mil\/files\/2024\/02\/feature_rank_5.png 1280w\" sizes=\"(max-width: 696px) 100vw, 696px\" \/><\/p>\n<ul>\n<li>Representative papers:\n<ul>\n<li><span style=\"font-size: 11pt;\">Hsu, T., Sadigh, B., Bertin, N., Park, C., Chapman, J., Bulatov, V., Zhou, F., &#8220;<\/span><a href=\"https:\/\/www.nature.com\/articles\/s41524-024-01337-z\" style=\"font-size: 11pt;\"><em>Score-based denoising for atomic structure identification<\/em><\/a><span style=\"font-size: 11pt;\">&#8220;, npj Computational Materials, July, 2024 <\/span><a href=\"\/mil\/files\/2024\/07\/s41524-024-01337-z.pdf\" style=\"font-size: 11pt;\">PDF<\/a><\/li>\n<li>\n<p class=\"app-journal-headersubtitle\"><span style=\"font-size: 11.0pt;\">Aroboto, B., Chen, S., Hsu, T., Wood, B. C., Ji<\/span><span style=\"font-size: 11.0pt;\">ao, Y., Chapman, J., &#8220;<a href=\"https:\/\/pubs.aip.org\/aip\/apl\/article\/123\/9\/094103\/2909293\/Universal-and-interpretable-classification-of\"><em>Universal and interpretable classification of atomistic structural transitions via unsupervised graph learning<\/em><\/a>&#8220;, Applied Physics Letters, September 2023 <a href=\"\/mil\/files\/2023\/09\/094103_1_5.0156682.pdf\">PDF<\/a><\/span><span style=\"font-size: 11.0pt;\"><\/span><\/p>\n<\/li>\n<li>\n<p class=\"app-journal-headersubtitle\"><span style=\"font-size: 11.0pt;\">Chapman, J., Hsu, T., Chen, X., Heo, T. W., Wood, B. C., &#8220;<a href=\"https:\/\/www.nature.com\/articles\/s41467-023-39755-0\"><em>Quantifying Disorder One Atom at a Time Using an Interpretable Graph Neural Network Paradigm<\/em><\/a>&#8220;, Nature Communications, July 2023 <a href=\"\/mil\/files\/2023\/07\/s41467-023-39755-0.pdf\">PDF<\/a><\/span><\/p>\n<\/li>\n<\/ul>\n<\/li>\n<li>\u00a0Students\n<ul>\n<li>Bamidele Aroboto (graduate)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>______________________________________________________________________________________________<\/p>\n<p><b>Disordered materials design\u00a0<\/b><\/p>\n<p><img loading=\"lazy\" src=\"\/mil\/files\/2025\/07\/DOM-636x202.png\" alt=\"\" width=\"636\" height=\"202\" class=\"alignnone size-medium wp-image-422\" srcset=\"https:\/\/sites.bu.edu\/mil\/files\/2025\/07\/DOM-636x202.png 636w, https:\/\/sites.bu.edu\/mil\/files\/2025\/07\/DOM.png 739w\" sizes=\"(max-width: 636px) 100vw, 636px\" \/><\/p>\n<ul>\n<li>Representative papers:\n<ul>\n<li><span style=\"font-size: 11.0pt;\">Tenorio, M., Md, H. R., Mannodi-Kanakkithodi, A., Chapman, J., &#8220;<a href=\"https:\/\/pubs.aip.org\/aip\/cpr\/article-abstract\/7\/1\/011317\/3384237\/Out-of-distribution-machine-learning-for-materials?redirectedFrom=fulltext\"><em>Out-of-distribution machine learning for materials discovery: challenges and opportunities<\/em><\/a>&#8220;, Chemical Physics Reviews, March, 2026 <a href=\"\/mil\/files\/2026\/03\/Out-of-distribution_machine_learning_for_materials.pdf\">PDF<\/a><\/span><\/li>\n<li><span style=\"font-size: 11.0pt;\">Kwon, H., Hsu, T., Sun, W., Jeong, W., Aydin, F., Chapman, J., Chen, X., Lordi, V., Carbone, M., Lu, D., &#8220;<a href=\"https:\/\/iopscience.iop.org\/article\/10.1088\/2632-2153\/ad8c10\"><em>Spectroscopy-Guided Discovery of Three-Dimensional Structures of Disordered Materials with Diffusion Models<\/em><\/a>&#8220;, Machine Learning Science and Technology, October, 2024 <a href=\"\/mil\/files\/2024\/10\/Kwonetal_2024_Mach._Learn.3A_Sci._Technol._10.1088_2632-2153_ad8c10.pdf\">PDF<\/a><\/span><\/li>\n<\/ul>\n<\/li>\n<li>Students\n<ul>\n<li>Lucy Sternberg (graduate)<\/li>\n<li>Miguel Tenorio (graduate)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>_____________________________________________________________________________________________<\/p>\n<p><b>Defect engineering of metal organic framework catalysts<\/b><\/p>\n<p><img loading=\"lazy\" src=\"\/mil\/files\/2025\/12\/DTRA_charisma_image-636x477.png\" alt=\"\" width=\"379\" height=\"284\" class=\"alignnone wp-image-425\" srcset=\"https:\/\/sites.bu.edu\/mil\/files\/2025\/12\/DTRA_charisma_image-636x477.png 636w, https:\/\/sites.bu.edu\/mil\/files\/2025\/12\/DTRA_charisma_image-1024x768.png 1024w, https:\/\/sites.bu.edu\/mil\/files\/2025\/12\/DTRA_charisma_image-768x576.png 768w, https:\/\/sites.bu.edu\/mil\/files\/2025\/12\/DTRA_charisma_image-1536x1152.png 1536w, https:\/\/sites.bu.edu\/mil\/files\/2025\/12\/DTRA_charisma_image.png 1600w\" sizes=\"(max-width: 379px) 100vw, 379px\" \/><\/p>\n<ul>\n<li>Representative papers:<\/li>\n<li>Students\n<ul>\n<li>Miguel Tenorio (graduate)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>AIMED: Autonomous and Intelligent Multiscale Extraction of Descriptors Representative papers: Hsu, T., Sadigh, B., Bertin, N., Park, C., Chapman, J., Bulatov, V., Zhou, F., &#8220;Score-based denoising for atomic structure identification&#8221;, npj Computational Materials, July, 2024 PDF Aroboto, B., Chen, S., Hsu, T., Wood, B. C., Jiao, Y., Chapman, J., &#8220;Universal and interpretable classification of atomistic [&hellip;]<\/p>\n","protected":false},"author":21170,"featured_media":0,"parent":0,"menu_order":6,"comment_status":"closed","ping_status":"closed","template":"","meta":[],"_links":{"self":[{"href":"https:\/\/sites.bu.edu\/mil\/wp-json\/wp\/v2\/pages\/21"}],"collection":[{"href":"https:\/\/sites.bu.edu\/mil\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/sites.bu.edu\/mil\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/sites.bu.edu\/mil\/wp-json\/wp\/v2\/users\/21170"}],"replies":[{"embeddable":true,"href":"https:\/\/sites.bu.edu\/mil\/wp-json\/wp\/v2\/comments?post=21"}],"version-history":[{"count":48,"href":"https:\/\/sites.bu.edu\/mil\/wp-json\/wp\/v2\/pages\/21\/revisions"}],"predecessor-version":[{"id":515,"href":"https:\/\/sites.bu.edu\/mil\/wp-json\/wp\/v2\/pages\/21\/revisions\/515"}],"wp:attachment":[{"href":"https:\/\/sites.bu.edu\/mil\/wp-json\/wp\/v2\/media?parent=21"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}