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DTSTAMP:20260405T225058Z
UID:df860716-288d-4318-b6f1-e00f145addef
DTSTART:20220629T090000Z
DTEND:20220701T170000Z
DESCRIPTION:Following the success of MDANSE Schools in 2012\, 2014\, 2016 a
 nd 2018\, MDANSE 2022 focusses on calculations of dynamics and vibrational
  properties of materials through dynamic structure factor S(q\,ꞷ) using 
 both DFT lattice dynamics and classical molecular dynamics (MD) codes in o
 rder to produce realistic simulated data\, such as inelastic and quasi-ela
 stic neutron scattering spectrum. ​\n​\n\nThrough hands-on tutorials t
 his school will show how widely-available simulation tools can be applied 
 to the interpretation of neutron scattering data\, particularly INS and QE
 NS experiments.  The school focuses mainly the practical aspects of runnin
 g and analysing simulations so that\, numerical and experimental data can 
 be directly compared and simulations can then be investigated in atomic de
 tail. \n\nIn addition to this\, the integration of the calculated dynamic 
 structure factor with instrument simulations to do full virtual experiment
 s will also be discussed.\n \nThe expected attendees will be either neutro
 n scientists with a good computational background\, or computational scien
 tist willing to do neutron experiments. Attendees will learn how to use ex
 isting computational tools to compute the measured signal starting from an
  initial structure\, down to the neutron scattering intensity\, helping to
  bridge the gap between experiment and simulation. Some previous knowledge
  of electronic-structure calculations and/or force-field based simulations
  is expected.  \n \nThis school will provide ample opportunities for colla
 borations and networking between neutron scientists\, instrument simulator
 s and computational chemists. We encourage early career researchers to app
 ly to get exposure in this emerging field of science in very friendly and 
 supportive environment.\n \nThe school is designed for providing hands-on 
 practical training\, so the number of participants is limited to 20. In or
 der to select candidates\, we request applicants to state briefly their sc
 ientific fields of interest\, why they would like to attend the school and
  previous experience with computer simulations. ​
LOCATION:Cosener's House
SUMMARY:MDANSE 2022
URL;VALUE=URI:https://www.isis.stfc.ac.uk/Pages/MDANSE-2022.aspx
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