Search for dissertations about: "Martin Lindh"

Found 3 swedish dissertations containing the words Martin Lindh.

  1. 1. Computational Modelling in Drug Discovery Application of Structure-Based Drug Design, Conformal Prediction and Evaluation of Virtual Screening

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Martin Lindh; Anders Karlén; Antti Poso; [2017]
    Keywords : MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; drug discovery; docking; virtual screening; tuberculosis; conformal prediction;

    Abstract : Structure-based drug design and virtual screening are areas of computational medicinal chemistry that use 3D models of target proteins. It is important to develop better methods in this field with the aim of increasing the speed and quality of early stage drug discovery. READ MORE

  2. 2. Extending the Reach of Accurate Wavefunction Methods

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Mickaël G. Delcey; Roland Lindh; Per-Åke Malmqvist; Martin Schütz; [2015]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Quantum chemistry; Density fitting; CASSCF; Analytical gradients; Photochemistry; X-ray spectroscopy; Kemi med inriktning mot kvantkemi; Chemistry with specialization in Quantum Chemistry;

    Abstract : Multiconfigurational quantum chemistry methods, and especially the multiconfigurational self-consistent field (MCSCF) and multireference perturbation theory (MRPT2), are powerful tools, particularly suited to the accurate modeling of photochemical processes and transition metal catalysis. However, they are limited by their high computational cost compared to other methods, especially density functional theory. READ MORE

  3. 3. Cladophora Cellulose-based Separators for Lithium Batteries

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Ruijun Pan; Leif Nyholm; Maria Strömme; Jonas Lindh; Zhaohui Wang; Martin Winter; [2019]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Cellulose; Separator; Paper making; Lithium-ion battery; Lithium-metal battery; Functionalization.; Kemi med inriktning mot materialkemi; Chemistry with specialization in Materials Chemistry;

    Abstract : The development of lithium-ion batteries (LIBs) has been focused on exploring and improving the electrode materials and electrolytes in the past decades. An indispensable component, the separator, is however not studied as extensively. In general, a separator has two functions, i.e. READ MORE