COMPUTATIONAL SCIENCE INTERNSHIP

LEARN | SIMULATE | DISCOVER

Internship

₹3000

per month

Dissertation

(6 MONTHS)

₹15000

one-time

HPC Facility Subscription

₹5000

per month

Internship Internal: Apply Here

Internship External: Apply Here

Software Packages Included

Biological

  • GROMACS (cpu/gpu)
  • AutoDock
  • VMD
  • PyMol

Chemistry

  • Gaussian (Licensed)
  • GAMESS
  • NWChem
  • Orca
  • GaussView

Material Science

  • LAMMPS
  • Quantum Espresso
  • Vesta
  • WxmacPlot

HPC Facility

HPC-Cluster POWER

5.05 TFlops
Login Node (1 unit) 1.47 TFlops
Compute Node (1 unit) 1.14 TFlops

Workstation Desktops

1.14 TFlops

10 Standalone Core i7-based dual boot units

What You Will Work On

Molecular Modeling & Docking

Structure preparation, ligand binding, and interaction analysis.

Molecular Dynamics Simulations

Run and analyze simulations using GROMACS.

Quantum Chemistry Calculations

Perform DFT and ab initio studies (Gaussian, GAMESS, NWChem, Orca).

Materials Modeling

Work with LAMMPS and Quantum ESPRESSO for material simulations.

Data Analysis & Visualization

Trajectory analysis, plotting, and structure visualization (VMD, PyMol, Vesta).

For more details Please Contact:

Dr. Daly Davis

Internship Internal: Apply Here

Internship External: Apply Here