Dr. Pierre Hirel



Simulation methods

  • Empirical interatomic potentials: EAM, rigid ions, shell model
  • Tight binding or LCAO
  • DFT with LDA, GGA
  • GW - Quasiparticules approach, calculation of electronic and optical properties

  • Relaxation methods (quench, conjugate gradients)
  • Molecular dynamics (ab initio or with semi-empirical potentials)
  • NEB method for saddle points search

Simulation codes

  • ABINIT - DFT calculations, electronic and optical properties, phonons, PAW calculations
  • VASP - DFT calculations
  • SIESTA - DFT calculations
  • PAW (programs developped locally) - DFT calculations

  • XMD - Simulations with semi-empirical potentials
  • LAMMPS - Simulations with semi-empirical potentials
  • GULP - Simulations with semi-empirical potentials
  • DL_POLY - Simulations with semi-empirical potentials

Codes developped

Communication, publication



  • Good knowledge in hardware, assembling and configuration (BIOS); methods to detect hardware failures
  • Good knowledge in networks, IP configuration, routing/port forwarding, WiFi
  • Microsoft Windows 98, 2000, XP:
    • Installation, configuration (network, drivers...)
    • Security: configuration of a firewall, antivirus, anti-adwares
    • Knowledge of MS-DOS and Windows NT prompt
  • UNIX, GNU/Linux:
    • Installation, configuration
    • Administration (mainly Debian-based systems)
    • Security: chroot, fail2ban...
    • Remote access: ssh, VNC
    • Web server: installation/configuration of Apache, MySQL
    • File server: installation/configuration of Samba shares, sshfs
    • Creation, expansion, maintainance of a software RAID with mdadm
    • FTP server: FTP over ssh inside a chroot
  • Programming:
    • Linux shell scripts (bash, awk, sed, grep...)
    • Fortran (serial/parallel with MPI)
    • Basics of C, Python
  • Good knowledge of GIMP
  • Video editing: Avidemux, VirtualDub, KDEnlive
  • Virtualisation: good knowledge of VirtualBox


  • French (mothertongue)
  • English, fluent; TOEIC : 945 (April 2008)
  • German (beginner)
  • Japanese (beginner)

Copyright © Pierre Hirel 2009-2024