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Applications

From BG Users Forum

  • ATOM is a set of computer programs for theoretical studies of atoms.
  • CoPS it stands for - Complex Comparison of Protein Structures. Application that offers a method applied for exploration of potential evolutionary relationships between the CATH protein domains and their characteristics.
  • Crystal06 A quantum-chemistry package to model periodic systems. Limited to VU ITPA users.
  • DALTON 2.0 A powerful molecular electronic structure program, with an extensive functional for the calculation of molecular properties at the HF, DFT, MCSCF, and CC levels of theory.
  • ElectroCap Stellar Rates of Electron Capture. A set of computer codes produce nuclear physics input for core-collapse supernova simulations.
  • MALBE Framework for engineering modeling tasks.
  • NWChem A computational chemistry package
  • Particle Technology (DEMMAT) Particle flows, nano-powders, material structure modelling on microscopic level using Discrete Element Method.