- 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
MedeA® 2.10 released
MedeA 2.10 focuses on polymer and general organic simulation capabilities. This release is intended for customers wishing to explore the latest in polymer simulation capabilities.
- Intuitive PolymerBuilder for the creation of any desired polymer.
- Extensive and extensible repeat unit library that includes 125 standard repeat units.
- Interactive arbitrary repeat unit construction and definition.
- Amorphous Materials Builder to create polymeric and general amorphous condensed systems for atomistic simulation.
Property Calculation Enhancements:
- Easily construct amorphous materials models within flowcharts.
- Calculate mechanical properties for amorphous systems, including:
- Hill-Walpole bounds analysis,
- Automated management of calculation sets needed to produce statistically meaningful results.
- Construction and employment of arbitrary structure sets for use with and within flowcharts.
- Sorption isotherm calculations are readily automated using flowcharts.
- New random substitution, deletion, and forcefield type assignment stages.
- Additional property variables for flowcharts.
- Handling of subsets for diffusion calculations improvements.
- Enhanced thermal conductivity unit handling.
- Multiple graphing enhancements and upgrades for easy export of data and graphical images.
- Import/export enhancements for non-periodic systems.
- Updates for VASP GW and electronic analysis.
- Rahman's argon forcefield has been added to the MedeA®environment forcefield set.
With the pending distribution of new VASP potentials, an upcoming release of MedeA®will represent a broad suite of updates of interest to all users. Please note that this release introduces significant changes to the TaskServer and requires the upgrade of all TaskServer implementations.
Publish while:2012 May 3 - 02 - 2012 Jul 2 - 11
News & Views
Erich Wimmer will give an invited talk at this year's MRS in Boston Nov 27-Dec 2, 2016
Our thoughts and prayers are with a valued colleague's family
This year's UGM was held in Seattle, Washington
Oct 12, 14 and 20, 2016.
Oct 4-6, 2016 - Seattle, WA
Aug 25 - Sep 9, 2016
Amorphous Materials Builder, HT Launchpad, VASPsol
Three different times on April 5th, 6th and 7th
Feb 23-24, San Jose, CA