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.
Optimizing Optics: Characterizing Hydrogen Defect Vibrational Modes in Infrared Window Materials
November 6, 2019
LAMMPS Wins in 2018 R&D 100
November 26, 2018
Vacancy Loops in Breakaway Irradiation Growth of Zirconium: Insight from Atomistic Simulations
December 19, 2019
Advanced Automotive Battery Conference Europe 2020
January 13, 2020
January 10, 2020
Partial Monolayers of Close-Packed Hexagonal Structures -- Happy Holidays from Materials Design
December 12, 2019
New Software Release: MedeA 3.0 -- Getting to Science Faster
November 5, 2019
An Isopotential Surface (with Defects) for a LiH Molecule - Happy Halloween!
October 31, 2019
Navigating Networks: Potential Analysis for High-Throughput Diffusion Screening
Congratulations to the Nobel Prize Winners in Chemistry
October 10, 2019
UGM Presenter Spotlight: Stéphane Brice Olou’ou Guifo
Computational Materials Science
Density Functional Theory