{"id":6277,"date":"2026-10-19T09:48:42","date_gmt":"2026-10-19T09:48:42","guid":{"rendered":"https:\/\/phd.hi.is\/doktorsvorn\/doktorsvorn-i-efnafraedi-bardi-benediktsson\/"},"modified":"2026-10-19T09:48:42","modified_gmt":"2026-10-19T09:48:42","slug":"doktorsvorn-i-efnafraedi-bardi-benediktsson","status":"publish","type":"phd_defence","link":"https:\/\/phd.hi.is\/en\/doktorsvorn\/doktorsvorn-i-efnafraedi-bardi-benediktsson\/","title":{"rendered":"Doktorsv\u00f6rn \u00ed efnafr\u00e6\u00f0i \u2013 Bar\u00f0i Benediktsson"},"content":{"rendered":"<div class=\"field-items\">\n<div class=\"field-item even\" property=\"content:encoded\">\n<p><a href=\"https:\/\/livestream.com\/hi\/doktorsvornbardibenediktsson\">Streymi<\/a><\/p>\n<p><strong>Doktorsefni:<\/strong>\u00a0Bar\u00f0i Benediktsson<\/p>\n<p><strong>Heiti ritger\u00f0ar:<\/strong>\u00a0Reikningar \u00e1 rafeindabyggingu spunak\u00fapla\u00f0ra j\u00e1rnbrennisteinsklasa (Electronic structure calculations of spin-coupled iron-sulfur clusters)<\/p>\n<p><strong>Andm\u00e6lendur:<\/strong><strong><br \/> <\/strong>Dr. Adam Kubas, d\u00f3sent vi\u00f0 E\u00f0lisefnafr\u00e6\u00f0istofnun P\u00f3lsku v\u00edsindaakadem\u00edunnar, P\u00f3llandi<br \/> Dr. Dimitrios A. Pantazis, h\u00f3pstj\u00f3ri vi\u00f0 Max-Planck stofnunina fyrir kolaranns\u00f3knir, \u00de\u00fdskalandi<\/p>\n<p><strong>Lei\u00f0beinandi:<\/strong>\u00a0Dr. Ragnar Bj\u00f6rnsson, ranns\u00f3knama\u00f0ur vi\u00f0 Laboratoire Chimie et Biologie des M\u00e9taux, CEA Grenoble, Frakklandi<\/p>\n<p><strong>Einnig \u00ed doktorsnefnd:\u00a0<br \/> <\/strong>Dr. Hannes J\u00f3nsson, pr\u00f3fessor vi\u00f0 Raunv\u00edsindadeild H\u00cd (Umsj\u00f3narkennari)<br \/> Dr. Asmus Ougaard Dohn, s\u00e9rfr\u00e6\u00f0ingur vi\u00f0 Raunv\u00edsindastofnun H\u00e1sk\u00f3lans<br \/> Dr. Tobias Kr\u00e4mer, lektor vi\u00f0 Maynooth University, \u00cdrlandi<\/p>\n<p><strong>Doktorsv\u00f6rn st\u00fdrir:<\/strong>\u00a0Dr. Oddur Ing\u00f3lfsson, pr\u00f3fessor og varadeildarforseti Raunv\u00edsindadeildar H\u00cd<\/p>\n<p><strong>\u00c1grip<\/strong><\/p>\n<p>Pr\u00f3tein sem innihalda j\u00e1rn-brennisteins hj\u00e1lpar\u00fe\u00e6tti gegna mikilv\u00e6gu hlutverki \u00ed l\u00edfverum og mikil ranns\u00f3knarvinna hefur fari\u00f0 \u00ed a\u00f0 skilja hvernig \u00feessi pr\u00f3tein virka. Reikniefnafr\u00e6\u00f0ilega er \u00fe\u00f3 ekki einfalt a\u00f0 l\u00fdsa \u00feessum hj\u00e1lpar\u00fe\u00e1ttum vegna \u00feess hve fl\u00f3kin rafeindabygging \u00feeirra er, sem og vegna \u00e1hrifa fr\u00e1 pr\u00f3teinumhverfinu. Markmi\u00f0 ranns\u00f3knanna sem l\u00fdst er \u00ed \u00feessu verkefni er a\u00f0 kortleggja hve vel mismunandi \u00fe\u00e9ttnifelli (DF) l\u00fdsa \u00feessum kerfum, svo og skilja undirliggjandi rafeindabyggingu \u00feeirra \u00e1samt \u00fev\u00ed a\u00f0 l\u00fdsa umhverfis\u00e1hrifum \u00fat fr\u00e1 fj\u00f6lskala reiknil\u00edk\u00f6num (QM\/MM). \u00deessa \u00feekkingu m\u00e1 s\u00ed\u00f0an nota til a\u00f0 l\u00fdsa betur hj\u00e1lpar\u00fe\u00e1ttum n\u00edtr\u00f3genasa ens\u00edmanna sem eru oft taldir vera me\u00f0al fl\u00f3knustu m\u00e1lm hj\u00e1lpar\u00fe\u00e1ttum sem finna m\u00e1 \u00ed pr\u00f3teinum. Ni\u00f0urst\u00f6\u00f0um verkefnisins m\u00e1 skipta \u00ed \u00ferennt. \u00cd fyrsta lagi var fj\u00f6lskalareiknil\u00edkan af vanad\u00edum-j\u00e1rn hj\u00e1lpar\u00fe\u00e6tti vanad\u00edum n\u00edtr\u00f3genasa bori\u00f0 saman vi\u00f0 kristalbyggingu ens\u00edmsins og fundi\u00f0 a\u00f0 hj\u00e1lpar\u00fe\u00e6ttinum er best l\u00fdst sem [VFe7S8C(CO3)]2\u2212 klasa. \u00cd \u00f6\u00f0ru lagi voru tv\u00f6 sameindas\u00f6fn \u00fatb\u00fain \u00fear sem eitt innih\u00e9lt 11 spunak\u00fapla\u00f0a tv\u00edj\u00e1rns-komplexa og anna\u00f0 5 tv\u00edj\u00e1rns-komplexa me\u00f0 allar rafeindir para\u00f0ar og s\u00fdnt fram \u00e1 a\u00f0 mismunandi \u00fe\u00e9ttnifelli l\u00fdsa \u00feeim misvel. \u00cd \u00feri\u00f0ja lagi voru kjarntitringshermir\u00f3f (NRVS) af j\u00e1rn-brennisteins hj\u00e1lpar\u00fe\u00e1ttum reiknu\u00f0 me\u00f0 fj\u00f6lskalareiknil\u00edk\u00f6num \u00fear sem \u00e1hrif vals \u00e1 \u00fe\u00e9ttnifellis, fj\u00f6lda at\u00f3ma l\u00fdst me\u00f0 skammtafr\u00e6\u00f0i og fj\u00f6lda at\u00f3ma \u00ed reikningum \u00e1 annarri aflei\u00f0u orkunnar var rannsaka\u00f0. Ni\u00f0urst\u00f6\u00f0ur benda til a\u00f0 l\u00edfr\u00e6nir tenglar fr\u00e1 pr\u00f3teininu s\u00e9u n\u00e6mari fyrir \u00feessum \u00fe\u00e1ttum en \u00f3l\u00edfr\u00e6nir tenglar og a\u00f0 NRVS-tilraunir \u00e1samt reikningum \u00e6tti a\u00f0 vera g\u00f3\u00f0 a\u00f0fer\u00f0 til a\u00f0 greina \u00e1st\u00f6nd sem h\u00e6gt er a\u00f0 einangra \u00ed hvarfgangi n\u00edtr\u00f3genasa.<\/p>\n<p><strong>Um doktorsefni\u00f0<\/strong><\/p>\n<p>Bar\u00f0i lauk grunnn\u00e1mi vi\u00f0 H\u00e1sk\u00f3la \u00cdslands \u00e1ri\u00f0 2015 me\u00f0 BSc. gr\u00e1\u00f0u \u00ed l\u00edfefna- og sameindal\u00edffr\u00e6\u00f0i og svo framhaldsn\u00e1mi \u00e1ri\u00f0 2018 me\u00f0 MSc. gr\u00e1\u00f0u \u00ed efnafr\u00e6\u00f0i. Me\u00f0fram n\u00e1mi hefur Bar\u00f0i kennt vi\u00f0 H\u00e1sk\u00f3la \u00cdslands sem stundakennari \u00ed e\u00f0lisefnafr\u00e6\u00f0i. \u00deegar Bar\u00f0i er ekki \u00e1 skrifstofunni er hann l\u00edklega anna\u00f0hvort \u00e1 fj\u00f6llum og\/e\u00f0a a\u00f0 taka lj\u00f3smyndir af \u00f6llu milli himins og jar\u00f0ar. Bar\u00f0i er f\u00e6ddur og uppalinn \u00e1 Akureyri og er elstur \u00feriggja systkina.<\/p>\n<\/div><\/div>\n","protected":false},"featured_media":5132,"template":"","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"default","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","ast-disable-related-posts":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"_phd_date_start":"2022-06-22T13:00:00+00:00","_phd_date_end":"2022-06-22T15:00:00+00:00","_phd_location":"Askja Stofa 132","_phd_admission":"A\u00f0gangur \u00f3keypis","_phd_thesis_title":"Reikningar \u00e1 rafeindabyggingu spunak\u00fapla\u00f0ra j\u00e1rnbrennisteinsklasa (Electronic structure calculations of spin-coupled iron-sulfur clusters)","_phd_source_url":"https:\/\/gamli.hi.is\/vidburdir\/doktorsvorn_i_efnafraedi_bardi_benediktsson","_phd_source_node_id":"388925","_phd_source_type":"vidburdir","_phd_member_id":806,"footnotes":""},"phd_school":[101,93],"phd_discipline":[102],"class_list":["post-6277","phd_defence","type-phd_defence","status-publish","has-post-thumbnail","hentry","phd_school-raunvisindadeild","phd_school-verkfraedi-og-natturuvisindasvid","phd_discipline-phd-i-efnafraedi"],"_links":{"self":[{"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/phd_defence\/6277","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/phd_defence"}],"about":[{"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/types\/phd_defence"}],"version-history":[{"count":0,"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/phd_defence\/6277\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/media\/5132"}],"wp:attachment":[{"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/media?parent=6277"}],"wp:term":[{"taxonomy":"phd_school","embeddable":true,"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/phd_school?post=6277"},{"taxonomy":"phd_discipline","embeddable":true,"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/phd_discipline?post=6277"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}