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Modelling and experiments<br />

InMother 2012<br />

Lyon, 20 April 2012 - 7

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Many scale Molecular Modeling CHARACTERISTIC TIMES years Engineering design hours minutes seconds microseconds nanoseconds Atomistic simulation (atoms) Mesoscale modeling (groups of atoms or molecules) Process simulation FEM (continuum) picoseconds femtoseconds Quantum mechanics (electrons) 1Å 1nm 1μm 1mm 1m CHARACTERISTIC LENGHTS InMother 2012 Lyon, 20 April 2012 - 6

Modelling and experiments InMother 2012 Lyon, 20 April 2012 - 7

Page 1 and 2: University of Trieste Nano tools fo
Page 3 and 4: Horizon2020 Structure KET InMother
Page 5: Multiscale Molecular Modeling CHARA
Page 9 and 10: From atoms … to beads Molecular D
Page 11 and 12: Method 1: bead size, chain architec
Page 13 and 14: Method 2: Mapping DPD parameters Si
Page 15: From beads … to micro: fixed grid

Nano tools for macro problems: multiscale molecular ... - SFGP

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