Sökning: "Anton G. Artemov"

Hittade 2 avhandlingar innehållade orden Anton G. Artemov.

  1. 1. Inverse factorization in electronic structure theory : Analysis and parallelization

    Författare :Anton G. Artemov; Emanuel H. Rubensson; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Scientific Computing; Beräkningsvetenskap;

    Sammanfattning : This licentiate thesis is a part of an effort to run large electronic structure calculations in modern computational environments with distributed memory. The ultimate goal is to model materials consisting of millions of atoms at the level of quantum mechanics. LÄS MER

  3. 2. Parallelization of dynamic algorithms for electronic structure calculations

    Författare :Anton G. Artemov; Emanuel H. Rubensson; Maya Neytcheva; Bo Kågström; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; parallelization; task-based programming; matrix algorithms; sparse matrices; inverse factorization; localized computations; density matrix methods; electronic structure calculations; Scientific Computing; Beräkningsvetenskap;

    Sammanfattning : The aim of electronic structure calculations is to simulate behavior of complex materials by resolving interactions between electrons and nuclei in atoms at the level of quantum mechanics. Progress in the field allows to reduce the computational complexity of the solution methods to linear so that the computational time scales proportionally to the size of the physical system. LÄS MER