{"id":2428,"date":"2025-12-12T11:02:32","date_gmt":"2025-12-12T11:02:32","guid":{"rendered":"https:\/\/ptbf.pl\/?p=2428"},"modified":"2025-12-12T11:02:32","modified_gmt":"2025-12-12T11:02:32","slug":"2428","status":"publish","type":"post","link":"https:\/\/ptbf.pl\/?p=2428","title":{"rendered":""},"content":{"rendered":"<pre data-olk-copy-source=\"MessageBody\">          SEMINARIUM Z FIZYKI BIOLOGICZNEJ I BIOINFORMATYKI\r\n      Instytutu Biochemii i Biofizyki PAN, Instytutu Fizyki PAN,\r\n\t\t\t i Zak\u0142adu Biofizyki UW\r\n\r\n                Wednesday, 17.12.2025, 15:15 (3.15 p.m. CET)                                \r\n\r\n&nbsp;   <a title=\"https:\/\/zoom.us\/j\/91976153012?pwd=azNiMWE4UnhPN3lRQlY2UHZHOXVkQT09\" href=\"https:\/\/zoom.us\/j\/91976153012?pwd=azNiMWE4UnhPN3lRQlY2UHZHOXVkQT09\" target=\"_blank\" rel=\"noopener noreferrer\" data-auth=\"NotApplicable\" data-linkindex=\"0\">https:\/\/zoom.us\/j\/91976153012?pwd=azNiMWE4UnhPN3lRQlY2UHZHOXVkQT09<\/a>\r\n\r\n                \r\n         \"From the Schr\u00f6dinger equation to crystal structure\r\n                    and biomolecular predictions\"\r\n\r\n                        \r\n                          Prof. <span style=\"color: #800000;\">Krzysztof Szalewicz<\/span>\r\n                           University of Delaware\r\n                      Department of Physics &amp; Astronomy\r\n                                Newark, USA<\/pre>\n<pre>ABSTRACT:<\/pre>\n<p><!--more--><\/p>\n<pre>In 1928, Dirac correctly foresaw that the main future goal of physics \r\nis finding approximate methods for solving Schr\u00f6dinger's equation. \r\nThe current status of first-principles quantum mechanical methods \r\napplied to the modelling of interactions between molecules will be \r\npresented, with particular emphasis on symmetry-adapted perturbation \r\ntheory. However, to model condensed matter, including biosystems, \r\none has to fit ab initio data by simple functions of interatomic \r\nseparations called force fields. A machine-learning program called \r\nautoPES performs such fits purely automatically, opening new avenues \r\nfor investigating condensed phases. Applications for predicting \r\ncrystal structures will be presented.<\/pre>\n<pre>                                       Bogdan Lesyng (UW)\r\n                                       Anna Nied\u017awiecka (IF PAN)\r\n                                       Piotr Zielenkiewicz (IBB)\r\n<\/pre>\n","protected":false},"excerpt":{"rendered":"<a href=\"https:\/\/ptbf.pl\/?p=2428\"><img loading=\"lazy\" decoding=\"async\" width=\"150\" height=\"150\" src=\"http:\/\/ptbf.pl\/wp-content\/plugins\/thumbnail-for-excerpts\/tfe_no_thumb.png\" class=\"alignleft wp-post-image tfe\" alt=\"\" title=\"\" \/><\/a><p>SEMINARIUM Z FIZYKI BIOLOGICZNEJ I BIOINFORMATYKI Instytutu Biochemii i Biofizyki PAN, Instytutu Fizyki PAN, i Zak\u0142adu Biofizyki UW Wednesday, 17.12.2025, 15:15 (3.15 p.m. CET) &nbsp; https:\/\/zoom.us\/j\/91976153012?pwd=azNiMWE4UnhPN3lRQlY2UHZHOXVkQT09 &#8222;From the Schr\u00f6dinger equation to crystal structure and biomolecular predictions&#8221; Prof. Krzysztof Szalewicz University &hellip; <a href=\"https:\/\/ptbf.pl\/?p=2428\">Czytaj dalej <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"ngg_post_thumbnail":0,"footnotes":"","_links_to":"","_links_to_target":""},"categories":[3],"tags":[],"class_list":["post-2428","post","type-post","status-publish","format-standard","hentry","category-aktualnosci"],"_links":{"self":[{"href":"https:\/\/ptbf.pl\/index.php?rest_route=\/wp\/v2\/posts\/2428","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/ptbf.pl\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/ptbf.pl\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/ptbf.pl\/index.php?rest_route=\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/ptbf.pl\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=2428"}],"version-history":[{"count":1,"href":"https:\/\/ptbf.pl\/index.php?rest_route=\/wp\/v2\/posts\/2428\/revisions"}],"predecessor-version":[{"id":2429,"href":"https:\/\/ptbf.pl\/index.php?rest_route=\/wp\/v2\/posts\/2428\/revisions\/2429"}],"wp:attachment":[{"href":"https:\/\/ptbf.pl\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=2428"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/ptbf.pl\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=2428"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/ptbf.pl\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=2428"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}