{"id":11842,"date":"2026-03-01T22:44:11","date_gmt":"2026-03-01T21:44:11","guid":{"rendered":"https:\/\/nanohelp.eu\/careers\/job\/electronic-structure-theory-postdoc-2\/"},"modified":"2026-03-01T22:44:11","modified_gmt":"2026-03-01T21:44:11","slug":"electronic-structure-theory-postdoc-2","status":"publish","type":"job_listing","link":"https:\/\/nanohelp.eu\/careers\/job\/electronic-structure-theory-postdoc-2\/","title":{"rendered":"Electronic Structure Theory Postdoc"},"content":{"rendered":"

Organization:<\/strong> Lawrence Berkeley National Laboratory<\/p>\n

Division:<\/strong> Chemical Sciences<\/p>\n

Lawrence Berkeley National Laboratory is hiring an Electronic Structure Theory Postdoc<\/strong> within the Chemical Sciences Division. This position provides a unique opportunity for the development and application of state-of-the-art theoretical chemistry tools to investigate ultrafast and quasi-equilibrium phenomena for large, complex interfacial systems. A primary goal is to bridge the time scale and length scale gap for non-equilibrium phenomena. Computational results are expected to compare with X-ray spectroscopy and\/or pump-probe spectroscopic observations.<\/p>\n

You will:<\/h3>\n
    \n
  • Perform computational investigation of ultrafast charge transfer and non-equilibrium phenomena in realistically large solid\/solid, solid\/liquid, and solid\/gas interfacial systems.<\/li>\n
  • Implement spectroscopic modules in electronic structure theory software packages, including Core Level, Infrared, and Raman spectroscopy, using languages such as Python, Fortran, or others.<\/li>\n
  • Leverage in-house core-level spectroscopy observations such as X-ray Photoelectron Spectroscopy and X-ray Absorption Spectroscopy to develop unified mechanistic explanations connecting theory and experiment.<\/li>\n
  • Work collaboratively with theorists and experimentalists.<\/li>\n
  • Actively publish in peer-reviewed journals and contribute to scientific research papers and reports.<\/li>\n<\/ul>\n

    We are looking for:<\/h3>\n
      \n
    • Ph.D. in Chemistry, Physics, Materials Science, or related field.<\/li>\n
    • Experience with Density Functional Theory, Molecular Dynamics (ab-initio MD and\/or nonadiabatic MD), and kinetic modeling.<\/li>\n
    • Experience with Machine Learning Interatomic Potential (MLIP) accelerated simulations.<\/li>\n
    • Strong coding skills in Fortran, Shell, or Python.<\/li>\n
    • Deep knowledge of excited states and ultrafast phenomena.<\/li>\n
    • Track record using electronic structure software such as VASP or Quantum ESPRESSO.<\/li>\n
    • Experience collaborating with experimentalists and interpreting experimental data.<\/li>\n<\/ul>\n

      Desired Skills:<\/h3>\n
        \n
      • Knowledge of spectroscopy.<\/li>\n
      • Background in heterogeneous catalysis.<\/li>\n
      • Experience with non-equilibrium methods such as kinetic theory, constrained-DFT, TDDFT, TDDFT tight binding, or NAMD.<\/li>\n<\/ul>\n

        Additional Information:<\/h3>\n
          \n
        • Application Deadline:<\/strong> Priority consideration for applications received by 2026-03-13. Applications accepted until the posting is removed.<\/li>\n
        • Appointment Type:<\/strong> Full-time, 2-year postdoctoral appointment with possibility of renewal based on performance and funding availability. Candidates must have less than 3 years of paid postdoctoral experience.<\/li>\n
        • Salary Range:<\/strong> $69,084 – $82,836 per year. Starting salary expected at $69,084 or above based on postdoctoral step rates per union contract.<\/li>\n
        • Work Location:<\/strong> Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA, United States.<\/li>\n
        • Background Check:<\/strong> Subject to background check.<\/li>\n<\/ul>\n

          Berkeley Lab is an Equal Opportunity Employer and a University of California employer committed to diversity, equity, and inclusion.<\/p>\n","protected":false},"author":37,"featured_media":11840,"comment_status":"open","ping_status":"closed","template":"","job_listing_type":[49,496,497],"job_listing_category":[523,351,518],"job_listing_location":[522],"job_listing_tag":[494,524,525,526,527],"class_list":["post-11842","job_listing","type-job_listing","status-publish","has-post-thumbnail","hentry","job_listing_type-full-time","job_listing_type-postdoctoral","job_listing_type-research","job_listing_category-chemical-sciences","job_listing_category-materials-science","job_listing_category-theoretical-chemistry","job_listing_location-berkeley-california-united-states","job_listing_tag-dft","job_listing_tag-electronic-structure-theory","job_listing_tag-molecular-dynamics","job_listing_tag-spectroscopy","job_listing_tag-ultrafast-phenomena"],"metas":{"_job_featured_image":"","_job_category":{"523":"Chemical Sciences","351":"Materials Science","518":"Theoretical Chemistry"},"_job_type":{"49":"Full Time","496":"Postdoctoral","497":"Research"},"_job_tag":{"494":"DFT","524":"Electronic Structure Theory","525":"Molecular Dynamics","526":"Spectroscopy","527":"Ultrafast Phenomena"},"_job_apply_type":"external","_job_apply_url":"https:\/\/lbl.taleo.net\/careersection\/iam\/accessmanagement\/login.jsf?lang=en&redirectionURI=httpslbl.taleo.netcareersection2jobapply.ftlevtr5482141isSocialSrctruecsarray101430233langenjob106113tznameAsia2FCalcutta&TARGET=httpslbl.taleo.netcareersection2jobapply.ftlevtr5482141isSocialSrctruecsarray101430233langenjob106113tznameAsia2FCalcutta","_job_apply_email":"","_job_salary_type":"yearly","_job_experience":"","_job_qualification":""},"_links":{"self":[{"href":"https:\/\/nanohelp.eu\/careers\/wp-json\/wp\/v2\/job_listing\/11842","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/nanohelp.eu\/careers\/wp-json\/wp\/v2\/job_listing"}],"about":[{"href":"https:\/\/nanohelp.eu\/careers\/wp-json\/wp\/v2\/types\/job_listing"}],"author":[{"embeddable":true,"href":"https:\/\/nanohelp.eu\/careers\/wp-json\/wp\/v2\/users\/37"}],"replies":[{"embeddable":true,"href":"https:\/\/nanohelp.eu\/careers\/wp-json\/wp\/v2\/comments?post=11842"}],"version-history":[{"count":1,"href":"https:\/\/nanohelp.eu\/careers\/wp-json\/wp\/v2\/job_listing\/11842\/revisions"}],"predecessor-version":[{"id":11843,"href":"https:\/\/nanohelp.eu\/careers\/wp-json\/wp\/v2\/job_listing\/11842\/revisions\/11843"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/nanohelp.eu\/careers\/wp-json\/wp\/v2\/media\/11840"}],"wp:attachment":[{"href":"https:\/\/nanohelp.eu\/careers\/wp-json\/wp\/v2\/media?parent=11842"}],"wp:term":[{"taxonomy":"job_listing_type","embeddable":true,"href":"https:\/\/nanohelp.eu\/careers\/wp-json\/wp\/v2\/job_listing_type?post=11842"},{"taxonomy":"job_listing_category","embeddable":true,"href":"https:\/\/nanohelp.eu\/careers\/wp-json\/wp\/v2\/job_listing_category?post=11842"},{"taxonomy":"job_listing_location","embeddable":true,"href":"https:\/\/nanohelp.eu\/careers\/wp-json\/wp\/v2\/job_listing_location?post=11842"},{"taxonomy":"job_listing_tag","embeddable":true,"href":"https:\/\/nanohelp.eu\/careers\/wp-json\/wp\/v2\/job_listing_tag?post=11842"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}