February 2, 2012
Extensive enhancements to Material Design, Inc.'s PCFF+ forcefield
straight chain hydrocarbon densities and cohesive energy densities are within 0.3% of experimental values using PCFF+.
MedeA supports EAM for metallic systems
EAM forcefields are supplied with MedeA, including Zhou's compendium for alloy systems.
thermal expansivity and isothermal compressibility
total heat capacity
DFT-D2 approach of Grimme for van der Waals interactions improves description of molecular systems and weakly bound inorganic crystals
A broad range of additional enhancements and updates round out the VASP updates in MedeA 2.8.
Flowcharts provide a perfect mechanism for developing reusable simulation strategies and protocols. LAMMPS, Gibbs, VASP, MOPAC, and building and editing tools may be combined in flowcharts.
Flowcharts are computationally efficient and designed for deep integration with MedeA’s TaskServer and JobServer architecture.
Simply start the upgrade program, connect to Materials Design, Inc. to get the newer components.
The installation DVD works for updating an existing installation.
One disk is all you need with databases for both Windows and Linux.
works on Windows XP, Vista, Windows 7, and most current Linux versions.
simplified the installation of included Windows SQL server
easier connection to mysql on Linux.
Upcoming Webinar: MedeA 3.1-- Precision at Scale -The New Normal
August 28, 2020
Materials Design Scientist Contributions to TMS 2020 Conference
February 18, 2020
UGM: Submit a Scientific Talk or Poster
September 11, 2020
Upcoming Webinar: Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof
August 17, 2020
UPDATE: The UGM is Going Global
August 10, 2020
Upcoming Webinar: VASP.6: Total energies beyond DFT
July 9, 2020
MedeA Software Release
MedeA 3.1 -- Precision at Scale - the New Normal
July 2, 2020
Webinar: Diffusion and You:
Batteries, Catalysis, Alloys, Corrosion,
and the Stock Market
Upcoming Webinar! Elasticity and Beyond:
Predicting Mechanical Properties with MedeA
May 21, 2020
Upcoming Webinar! Rerun: High Value from High Throughput in the MedeA Environment
May 12, 2020
The Advanced Materials Simulation Engineering Tool (AMSET) Project
May 6, 2020
Computational Materials Science
Density Functional Theory
R&D 100 Awards
User Group Meeting
classical molecular dynamics