Sökning: "Berk Hess"

Hittade 3 avhandlingar innehållade orden Berk Hess.

  1. 1. Molecular Processes in Dynamic Wetting : Du som saknar dator/datorvana kan kontakta Cathrine Bergh, [email protected] för information

    Författare :Petter Johansson; Berk Hess; Erik Lindahl; Guillaume Galliero; KTH; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; contact lines; nanodroplets; computational physics; molecular dynamics; fluid dynamics; multi-phase flows; electrowetting; Biologisk fysik; Biological Physics;

    Sammanfattning : The spreading of liquids onto and over surfaces is a fundamental process in nature. It is present in all forms and sizes: From rivers carving through landscapes, to our blood stream transporting nutrients to cells, and even single water molecules moving through channels into these cells. LÄS MER

  2. 2. Fast methods for electrostatic calculations in molecular dynamics simulations

    Författare :Davood Saffar Shamshirgar; Anna-Karin Tornberg; Berk Hess; Robert Krasny; KTH; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Tillämpad matematik och beräkningsmatematik; Applied and Computational Mathematics;

    Sammanfattning : This thesis deals with fast and efficient methods for electrostatic calculations with application in molecular dynamics simulations. The electrostatic calculations are often the most expensive part of MD simulations of charged particles. Therefore, fast and efficient algorithms are required to accelerate these calculations. LÄS MER

  3. 3. Optimizing sampling of important events in complex biomolecular systems

    Författare :Lindahl Viveca; Berk Hess; Erik Lindahl; Bert de Groot; KTH; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; molecular dynamics; free energy calculation; adaptive sampling; extended ensembles; membrane proteins; DNA; Biologisk fysik; Biological Physics;

    Sammanfattning : Proteins and DNA are large, complex molecules that carry out biological functions essential to all life. Their successful operation relies on adopting specific structures, stabilized by intra-molecular interactions between atoms. LÄS MER