Sökning: "quantum control algorithm"

Visar resultat 6 - 7 av 7 avhandlingar innehållade orden quantum control algorithm.

  1. 6. 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

  3. 7. High Resolution Tip-Enhanced Raman Images of Single Molecules from First Principles Simulations

    Författare :Zhen Xie; Yi Luo; Filippo De Angelis; KTH; []
    Nyckelord :First Principles; Tip-Enhanced Raman Images; light-matter interactions at the nanoscale; Teoretisk kemi och biologi; Theoretical Chemistry and Biology;

    Sammanfattning : With the precise control of spatially confined plasmon (SCP), tip-enhanced Raman spectroscopy (TERS) has achieved sub-nanometer resolution, leading to the chemical and physical characterization of the single molecule by optical Raman images. In the high resolution TERS measurements, the SCP spatial distribution generates the position-dependent Raman images. LÄS MER