Essays about: "Ring polymer molecular dynamics"

Found 2 essays containing the words Ring polymer molecular dynamics.

1. 1. Calculation of neutron scattering libraries for liquid ortho-deuterium and hydrogen deuteride

   University essay from Lunds universitet/Kärnfysik; Lunds universitet/Fysiska institutionen

   Author : Alexander Huusko; [2022]
   Keywords : PIMD; NJOY; HD; D2; HighNESS; ESS; RPMD; TSL; Physics and Astronomy;

   Abstract : The European Spallation Source (ESS) has launched a project called HighNESS, with the task of investigating the potential of adding a second moderator system to the facility, with ortho-deuterium (o-D2) being the main material of interest. Another moderator material which could be of interest is hydrogen deuteride (HD). READ MORE

3. 2. Scattering Kernel Calculations for Liquid Para-Hydrogen Using Ring Polymer Molecular Dynamics

   University essay from Lunds universitet/Kärnfysik; Lunds universitet/Fysiska institutionen

   Author : Pontus Nordin; [2020]
   Keywords : Neutron scattering; Para-hydrogen; Scattering kernels; Molecular dynamics; Ring polymer molecular dynamics; ESS; Physics and Astronomy;

   Abstract : The European Spallation Source will be a world leading neutron source available for a range of neutron scattering experiments in the scientific community. In order to accurately simulate the production of cold and thermal neutrons, an accurate calculation of the neutron cross section for the moderator materials is needed. READ MORE