September 10, 2019 Application Software Siesta Siesta Siesta (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is both a method and
September 10, 2019 Application Software Quantum Espresso Quantum Espresso Quantum Espresso is an integrated suite of computer codes for electronic-structure calculation and materials
September 10, 2019 HPC Scientific Visualisation Scientific Visualisation At NUS IT, the Remote and Collaborative Visualization System are setup for you
September 10, 2019 Application Software NAMD NAMD NAMD is a open source parallel molecular dynamics code designed for high-performance simulation of large
September 10, 2019 Application Software Material Studio Material StudioIntroduction Materials Studio 2018 is a complete modeling and simulation software package designed to allow
September 9, 2019 Application Software Compiling/Running User-Written Programs Compiling/ Running User-Written Programs The following compilers, debuggers and performance tuning tools are available on
September 9, 2019 Application Software ABINIT ABINIT ABINIT is a software package whose main program allows one to find the total energy,
September 9, 2019 Application Software Amber Amber Amber is a software package for molecular dynamics simulations, particularly for proteins, nucleic acids and
September 9, 2019 getting started Introductory Guide for New HPC Users Introductory Guide for New HPC Users As a new user, when you registered a HPC
September 9, 2019 Application Software LAMMPS LAMMPS LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a classical molecular dynamics program from Sandia