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Tag cloud | Project Tree | Project List
33 projects in result set. Displaying 20 per page. Projects sorted by alphabetical order.<1> <2>
| 2light nonlinear Optics - 2light code aims at the calculation of second-order nonlinear optical properties of solids and molecules in the framework of Time-Dependent Density-Functional Theory. It is based on periodic cells, plane-waves and pseudopotentials. | |
Register Date: 2010-06-07 13:29 | |
| AIMPAC2 - Unifying approaches to Bader Analysis in solids and isolated systems by reworking Bader et. al.'s AIMPAC code into a general library and front-ends to current and future electronic structure codes, with extended theoretical content. | |
Register Date: 2011-01-04 15:56 | |
| atomic GWX - The aim of the project is to develop an atomic code meant to implement manybody perturbation theory methods. HF and GW included at first. | |
Register Date: 2010-04-15 13:15 | |
| CHAMP - The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations of atomic, molecular, and solid systems. | |
| This project has not yet categorized itself in the Trove Software Map | Register Date: 2010-02-01 15:10 |
| DMFT - The code implements Dynamical Mean Field Theory approach to correlation task in model Hamiltonian produced by QE. | |
Register Date: 2009-02-11 17:03 | |
| Electronic Density of States Viewer - The EDOSViewer is a graphical visualization tool for output files generated by dos.x and projwfc.x post-processing codes from Quantum Espresso providing an easy way to visualize and compare DOS and PDOS plots, allowing the export of .dat files and images. | |
Register Date: 2010-03-25 20:27 | |
| EPW - EPW (Electron–Phonon coupling using Wannier functions) is a Fortran90 program for calculating the electron–phonon coupling in periodic systems using density-functional perturbation theory and maximally localized Wannier functions. | |
Register Date: 2011-03-16 17:48 | |
| GRID lattice dynamics - A client/server system in Python to tap from GRID resources in order to perform phononic computations with Quantum Espresso efficiently and reliably. | |
| This project has not yet categorized itself in the Trove Software Map | Register Date: 2008-10-23 18:19 |
| GW+Wannier - GWW or the computation of the GWa quasi-particle energies, based on the use of Wannier-like orbitals. | |
Register Date: 2008-11-13 17:54 | |
| iotk - This is a library to perform input/output on xml files from FORTRAN. | |
| This project has not yet categorized itself in the Trove Software Map | Register Date: 2011-03-07 11:32 |
| Multi Scale Modeling Simulation - Software platform for the modelling of nano-materials with simulations that range from the meso-scale to the quantum scale, employing the Quantum Espresso suite and the LAMMPS engine. | |
| This project has not yet categorized itself in the Trove Software Map | Register Date: 2009-10-19 15:19 |
| NKC SIC - This project is aimed to the development and testing of a new self-interaction scheme. | |
Register Date: 2010-04-15 13:26 | |
| phiGEMM - The phiGEMM library is a numerical library that implement Level 3 BLAS GEMM routines (S/D/C/Z) that take advantage of heterogeneous multi-core compute nodes (or workstation) equipped with NVIDIA GPU cards. | |
| This project has not yet categorized itself in the Trove Software Map | Register Date: 2011-07-01 14:38 |
| PSlibrary - The purpose of the project is to provide a library of inputs of the ld1.x code for the generation of a standard set of norm conserving, ultrasoft and PAW pseudopotentials. | |
Register Date: 2009-09-15 11:27 | |
| PWTK - The PWTK stands for PWscf ToolKit. PWTK is a Tcl scripting interface to PWscf set of programs contained in the Quantum Espresso distribution. | |
Register Date: 2009-04-08 14:21 | |
| QE-ACFDT - This is the home for the ACDFT effort inside QE distribution. | |
Register Date: 2010-08-11 13:30 | |
| QE-GIPAW - This is the new home of GIPAW (Gauge-Including Projector-Augmented Wave). GIPAW allows to calculate NMR and EPR spectra. | |
Register Date: 2009-10-28 16:36 | |
| QE live distribution - This project aim to build and mantain a simple Linux live distribution including open-source scientific tools, binary and source of the most recent QE version and a installer for fast deploy. | |
Register Date: 2008-11-20 11:16 | |
| QE+MBH - QE+MBH stands for Quantum Espresso + Many Body Hamiltonian. The project aims to extend the DFT+U scheme to deal with spin-orbit coupling and non-collinear magnetism. Other model Hamiltonians will be introduced to treat more accurately e-e interactions. | |
Register Date: 2009-05-07 16:24 | |
| QMMM wrapper - QMMM wrapper is based on the original idea and code MS2 of Riccardo Di Meo. QMMMW, works as an interface between the Born-Oppenheimer DFT engine of Quantum ESPRESSO and the classical Dynamics engine of LAMMPS. | |
Register Date: 2011-11-23 11:32 | |
33 projects in result set. Displaying 20 per page. Projects sorted by alphabetical order.
<1> <2>