Name |
Developer |
URL |
Very Brief Description |
Automated Interactive Infrastructure and Database for Computational Science (AiiDA) |
EPFL, Switzerland |
Scalable informatics ingrastructure to manage, preserve and disseminate the simulations, data and workflows [pdf] |
|
Automatic Flow of Materials Discovery (AFLOW) |
Duke University, USA |
http://materials.duke.edu/aflow.html |
Software for high-throughput calculations of materials proeprties |
Thermoelectrics Design Lab |
Colorado School of Mines, UC, Northwestern U. USA |
DB of computational and experimental properties of thermoelectrical materials + informatics tools [pdf] |
|
Semiconductor Factory Simulator (FabSim) |
Fraunhofer IMS, Germany |
Python-based |
|
Atomic Simulation Environment (ASE) |
Technical University of Denmark, Denmark |
a set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations |
|
Cyberinfrastructure for Atomistic Materials Science (CAMS) |
Univ. Florida |
Forum for disseminating new atomistic scale methodologies, educating non-experts and the next generation of computational materials scientists, and serving as a bridge between the atomistic and complementary (electronic structure, mesoscale) modeling communities. |
|
ESTEST Project Page |
UC Davis, USA |
Framework |
|
DoE Exascale Co-Design Center for materials in Extreme Environments (ExMatEx) |
LANL, LLNL, ORNL, SNL, Stanford U. USA |
to establish the interrelationships between hardware, middleware (software stack), programming models and algorithms to enable a productive exascale environment for multiphysics simulations of materials in extreme mechanical and radiation environments. |
|
NanoHUB |
Network for Computational Nanotechnology, Purdue Univ. USA |
A resource for nanoscience and nanotechnology |
|
Center for Hierarchical Materials Design (CHiMaD) |
Northwestern Univ. |
NIST sponsored Center for Hierarchical Materials Design |
|
Predictive Integrated Structural Materials Simulation (PRiSMS) |
Univ. Michigan DOE Software Innovation Center |
To establish a unique scientific platform that will enable accelerated predictive materials science for structural metals, by combining efforts of experiemtnal and computational researchers. |
|
Materials Implementation, Data, Analysis (MIDAS) |
LLNL, USA |
webpage yet to open (2016.2) |
easy-to-use and comprehensive common source for material properties including both experimental data and models and their parameters. |
Virtual Materials Lab |
TU Delft, the Netherland (Barend Thijsse) |
To develop new materials through virtual reality, that is through computer simulations |
|
Materials Virtual Lab |
UC San Diego, USA (Shyue Ping Ong) |
Development of state-of-the-art software frameworks for materials analysis and performing high-throughput first principles computation. |
|
GNU Octave |
University of Wisconsin-Madison (James B. Rawlings) University of Texas (John G. Ekerdt) |
Octave is a high-level language, primarily intended for numerical computations. Octave has extensive tools for solving common numerical linear algebra problems, finding the roots of nonlinear equations, integrating ordinary functions, manipulating polynomials, and integrating ordinary differential equations. MATLAB compatible opensource software. |