We installed HΦ, MODYLAS, NTChem, OpenMX, SALMON, SMASH on OCTOPUS
We installed the following softwares on OCTOPUS with a support of RIST. Please see this page for the detail.
|HΦ is an open source software package analyzing the quantum many-body lattice models based on the numerical exact diagonalization method. The software is capable of computing the ground state, low-excitation state, excitation spectra and thermodynamic quantities at the finite temperature of the various many-body quantum systems, such as multi-orbital Hubbard model,Heisenberg model, and Kondo lattice model.
|MODYLAS is an Open Source Software (license permission required) package for general-purpose classical molecular dynamics. The software supports various methods required for the molecular dynamics computation in nano-molecules and biomolecules including the Fast Multiple Method (FMM) of treating long-range electrostatic interactions.
|NTChem is an application software package for the molecular electronic structure calculation based on the Gaussian-type basis functions. Various kinds of functionalities for quantum chemistry approaches are available to users. It is designed for high-performance quantum chemistry calculations on massively parallel computers.
|OpenMX is an Open Source Software package for the first-principles calculations. Using atom-localized basis functions and pseudopotential method, the software performs the electronic state computations for a wide range of physics systems such as crystals, interfaces, solutions.
|SALMOM is an Open Source Software package based on first-principles calculations targeting researches related to interaction between light and materials. The software can be used for photo-excited electron dynamics and light propagation simulations based on time-dependent density functional theory using real-time and real-space grid method.
|SMASH is an Open Source Software package for massively parallel quantum chemical calculations. The software is capable of energy and geometry optimization calculations of the Hartree-Fock method, the DFT method and the MP2 method for nano-sized molecules without splitting or fragmenting.
Posted : June 03,2019