Essays about: "Molecular modelling"

Showing result 1 - 5 of 36 essays containing the words Molecular modelling.

  1. 1. Molecular Insights into the Interactions of Monovalent Cations with Highly charged Fatty Acid Monolayers

    University essay from KTH/Kemi

    Author : Ran Carlhamn Rasmussen; [2023]
    Keywords : VSFS; Langmuir monolayer; ion specific effects; modified Poisson Boltzmann; carboxylic acid; VSFS; Langmuir monolager; jonspecifika effekter; modifierad Poisson Boltzmann; karboxylsyra;

    Abstract : Vibrational sum frequency spectroscopy har använts för att studera interaktionerna mellan monovalenta joner och laddade fettsyramonolager. Subfasen bestod av utvalda alkalihydroxidsaltlösningar med pH12, med huvudfokus på cesiumjonen. READ MORE

  3. 2. Computational modelling of photosynthetic excitons coupled to a microcavity

    University essay from Lunds universitet/Fysiska institutionen; Lunds universitet/Beräkningsbiologi och biologisk fysik - Genomgår omorganisation; Lunds universitet/Institutionen för astronomi och teoretisk fysik - Genomgår omorganisation

    Author : Ilmari Turunen; [2022]
    Keywords : Cavity QED; LH2; Chlorophyll; Exciton; Polariton; Transition dipole moment; Absorbance; Physics and Astronomy; Chemistry; Biology and Life Sciences;

    Abstract : Cavity quantum electrodynamics (QED) is a theory that is used for describing the interaction between matter and cavity modes. Not until relatively recently, cavity QED has been extended to the study of photosynthetic light-harvesting complexes (LHCs). READ MORE

  4. 3. Modelling of nanometric cutting in metals using MD simulations

    University essay from Lunds universitet/Mekanik

    Author : Damien Gautier; [2022]
    Keywords : Nanometric cutting; Molecular Dynamics; Technology and Engineering;

    Abstract : This master thesis project has been done within the Mechanics department of Lunds Tekniska Högskola (LTH). It studies the nanometric cutting process of a single crystal copper workpiece by a cubic diamond tool using Molecular Dynamics (MD) simulations on the software LAMMPS. READ MORE

  5. 4. Modelling of gene regulatory and spatial mechanisms which pattern the early human neural tube

    University essay from Lunds universitet/Beräkningsbiologi och biologisk fysik - Genomgår omorganisation

    Author : Fredrik Bertilsson; [2022]
    Keywords : Biophysics; systems biology; gene regulatory networks; neural tube; isthmic organizer; midbrain-hindbrain boundary; WNT; FGF; morphogens; reaction-diffusion; finite-difference; 3D modelling; Physics and Astronomy;

    Abstract : Tissue patterning during development is thought to be driven largely by gene regulatory responses to spatial gradients of molecular signals, known as morphogens. In this thesis, early patterning of the human neural tube is studied using two different gene regulatory network models. READ MORE

  6. 5. Spectroscopic model characterisation of hot exoplanet atmospheres

    University essay from Lunds universitet/Astronomi - Genomgår omorganisation; Lunds universitet/Fysiska institutionen

    Author : Elin Sandvik; [2022]
    Keywords : Transit method; Transmission spectroscopy; Exoplanets; Hot Jupiter; Modelling; Physics and Astronomy;

    Abstract : Hot Jupiters are gas giants under intense stellar radiation with short orbital periods of only a few days. Due to their large radii, hot temperatures, and large scale heights, hot Jupiters can be observationally characterised in detail through spectroscopy over an entire orbital phase. READ MORE