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Symposium

N. Towards Experimentally Relevant Time Scales: Methods for Extending Atomistic Simulation Times and Their Applications in Material Science

[SY-N5] Symposium N-5

2018年11月1日(木) 14:00 〜 15:30 Room4

Chair: Jutta Rogal(ICAMS Ruhr University Bochum, Germany)

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[SY-N5] Understanding the impact of extended defects on the behaviour of C atoms: a multi technique approach

Invited

^○Christophe Domain¹, charlotte S becquart² (1.EDF, France, 2. Univ.Lille, CNRS, INRA, ENSCL, UMR 8207, UMET, Unité Matériaux et Transformations, France)

[SY-N5] Localised on-the-fly Kinetic Monte Carlo

^○Johannes Bulin (Fraunhofer-Institut SCAI, Germany)

[SY-N5] A Preconditioning scheme for Minimum Energy Path finding methods

^○Stela Makri, James Kermode, Christoph Ortner (University of Warwick, UK)

[SY-N5] Temperature Programmed Molecular Dynamics - Accessing rare events using a combination of finite time sampling and bias potentials

Invited

^○Abhijit Chatterjee (Dept. of Chemical Engineering, Indian Institute of Technology Bombay, India)

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