project . 2016 - 2019 . Closed

PCCDX

Breaking the curse of dimension in heavy-element chemistry
Open Access mandate for Publications European Commission
  • Funder: European CommissionProject code: 702635 Call for proposal: H2020-MSCA-IF-2015
  • Funded under: H2020 | MSCA-IF-EF-ST Overall Budget: 146,462 EURFunder Contribution: 146,462 EUR
  • Status: Closed
  • Start Date
    01 Jul 2016
    End Date
    09 Mar 2019
  • Detailed project information (CORDIS)
  • Open Access mandate
    Research Data: No
Description
The acute toxicity and radioactivity of actinide compounds complicate experimental studies of the “soup” of nuclear waste produced in nuclear reactors. This motivates research into computational approaches for determining molecular properties and reactivity of actinide compounds. Unfortunately, the computational resources required by standard quantum chemistry methods grow exponentially with system size, an effect known as the curse of dimension. Since the actinide-containing molecules of relevance to nuclear chemistry contain hundreds of electrons, innovative new approaches that break the curse of dimension must be developed. One such approach models many-elect...
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Description
The acute toxicity and radioactivity of actinide compounds complicate experimental studies of the “soup” of nuclear waste produced in nuclear reactors. This motivates research into computational approaches for determining molecular properties and reactivity of actinide compounds. Unfortunately, the computational resources required by standard quantum chemistry methods grow exponentially with system size, an effect known as the curse of dimension. Since the actinide-containing molecules of relevance to nuclear chemistry contain hundreds of electrons, innovative new approaches that break the curse of dimension must be developed. One such approach models many-elect...
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