Computational and Experimental Resources

• Material / Device Modelling Tools
  • DFT and NEGF Tools
    • Quantum ESPRESSO (Open-Source Package for Research in Electronic Structure, Simulation and Optimization)
    • VASP (Vienna Ab-initio Simulation Package)
    • SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms)
    • WEIN-2K
    • ABINIT
    • CASTEP (Cambridge Serial Total Energy Package)
    • ATK-VNL (Atomistix Tool Kit-Virtual Nano Lab)
    
    
  • Molecular Dynamics Tools
    • GROMACS (GROningen MAchine for Chemical Simulations)
    
    
• Device / Circuit Modeling tools
  • SIMON (For modeling Single Electron Transistor based circuits)
  • Cadence (using in coordination with VLSI lab)
  • P-Spice (using in coordination with VLSI lab)
  • Silvaco (using in coordination with VLSI lab)
  
  
• Computational Resources
  • 4 user accounts on Param YUVA Supercomputer at NPSF CDAC (each account allows 8 parallel job submissions)
  • 3 High performace Servers
  • 30+ latest configured Desktops