ACCMS-5 SHORT-COURSE LECTURES ON

ADVANCED COMPUTATIONAL METHODS IN ATOMISTIC MODELLING OF MATERIALS

Hanoi University of Technology, 7-8 September 2009

Hanoi University of Technology

The Short course is held at the campus of Hanoi University of Technology. The two-day course on CMS aims to provide a general knowledge on state of the art of different modern simulation techniques for modelling materials properties at nano-scale. Computer facility requirement for these courses: PC-Linux cluster and/or workstations with UNIX platform and a minimum memory of each processor of 1Gb.

N.M. Duc (UKAEA) Director
V.N. Tuoc (HUT) Secretary
B.T. Cong (HUS)
N.H. Quang (IOP)
H.D. Tu (HUT)

Lecturers:

David. G. Pettifor, Department of Materials, University of Oxford, Oxford, OX1 3PH, UK
Ralf Drautz, Interdisciplinary Centre for Advanced Materials Simulation, Ruhr University, 44780 Bochum, Germany
Arthur F. Voter, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico, USA
Kaoru Ohno, Department of Physics, Yokohama National University, Yokohama 240-8501, Japan
Steven D. Kenny, Department of Mathematical Sciences, Loughborough University, Leicestershire, LE11 3TU, UK
Benjamin Hourahine, Department of Physics, University of Strathclyde, John Anderson Building,107 Rottenrow, Glasgow G4 0NG, UK

Topics:

1. Bond-order potentials: bridging the electronic-atomistic modelling hierarchies in materials science. Part I: sp-valent materials (D.G. Pettifor)
   
   
2. Bond-order potentials: bridging the electronic-atomistic modelling hierarchies in materials science. Part II: d-valent transition metals and magnetism (R. Drautz)
   
   
3. Understanding infrequent events and extending the time scale of molecular dynamics simulations of material systems (A.F. Voter)
   
   
4. Lattice Monte Carlo method as a powerful tool (K. Ohno)
   
   
5. Localised orbital based DFT - Methodology and Analysis (S.D. Kenny)
   
   
6. Tight-binding modelling with DFTB (B.Hourahine)