- Our Capabilities
- Specialty Builders
- Analysis and Properties
- Mechanical/Thermal Properties
- Phonon - Thermodynamic Properties
- Transition State Search
- P3C Polymer Property Prediction using Correlations
- LAMMPS-Thermal conductivity
- Embedded Atom Potentials
- MedeA Surface Tension
- Compute Engines
- Climbing Length Scales
- Application Notes
- Atomistic Simulations of Multi-Phase Systems
- MedeA ICME seminar
- Users Group Meeting 2015
The MedeA®software consists of three levels, a graphical user interface, databases, and simulation programs. The communication between these layers is accomplished by JobServers and TaskServers.
MedeA®comprises a number of modules, which the user can choose according to the type of applications. All modules are embedded in core framework which is called “MedeA®environment”.
The various components of MedeA®can be distributed over a network of computers including large-scale supercomputers. Alternatively, all components of MedeA®can simply be installed on a single machine like a laptop.
In a typical installation the graphical user interface resides on Windows desktops or laptop computers. The structural databases are installed on a central server. The numerically intensive programs such as VASP and GIBBS are implemented on compute clusters running LINUX, but they can also be locally installed running under Windows.
The execution of the numerically intensive tasks is supervised by a JobServer, which communicates in robust protocols with the computational programs via TaskServers or queuing systems. During the execution of the computational jobs the MedeA®interface can be disconnected and their progress can be monitored using the web-browser interface of the JobServers.
Intelligent Restart and Reconnect allow to recover or redo parts of calculation protocols lost or inaccessible due to hardware, software or network problems.