ICAMM (International Conference on Advanced Materials Modelling) - VASP workshop

26 juin-3 juil. 2019
École nationale supérieure de chimie de Rennes (ENSCR) - Rennes (France)
ICAMM International Conference on Advanced Materials Modelling - June 26 - July 3, 2019 This is the fifth edition of a bi-annual conference gathering scientists from the fields of theoretical chemistry and physics, and who are interested in: - Using different calculation methods in order to understand properties like optical, electronic, magnetic, ferroelectric, piezoelectric, multiferroic, and catalytic, for advanced materials with applications in the field of energy storage and conversion, photovoltaics, memory storage, optoelectronics...; - Simulating electronic, optical and vibrational spectroscopy (XAS, EELS, XPS, IR/Raman, NMR ...). - Code developments (WIEN2k, VASP, FHI-AIMS, CASTEP, ABINIT, AIMPRO, SIESTA, Quantum ESPRESSO, OCTOPUS ...) and new implementations in semi-empirical and/or first-principles approaches. VASP workshop – August 31-September 3, 2016 This VASP workshop deals with density functional (DFT) calculations using the Vienna Ab-initio Simulation Package. VASP is one of the most popular electronic structure codes performing ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. The workshop is a unique opportunity to learn the use, power and limitations of the package with the tutoring of the authors and developers of the code. The activities will be aimed at graduate students and researchers from industry and academia. The only pre-requisite is to have a basic knowledge of solid state physics, and chemistry. The workshop covers three aspects: - Introduction to DFT and plane wave/pseudopotential methods - Applications using VASP code (and related methods) - Lectures on and exercises with VASP.
Discipline scientifique : Chimie théorique et/ou physique

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