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yalefield

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[资源] 【转载】Material Studio 5.0 出锅咯

I am pleased to announce the release of Materials Studio 5.0. New functionality in this release includes:

* Parallelized versions of Forcite Plus and Mesocite for classical simulations of atoms and beads
* Mesocite now includes a parallel implementation of dissipative particle dynamics for simulations of soft matter
* A new Amorphous Cell which enables building of any type of amorphous structure, including the capabilities to constrain packing to defined volumes and improved treatment of flexible torsions and ring spearing.
* CASTEP, our plane-wave DFT code, can now compute Raman intensities, has improved spectra display for core level spectra, and includes the new PBEsol gradient corrected density functional.
* Improved forcefield support, periodic QMPot, and vibrational frequencies for QM/MM calculations using QMERA
* Extensions to the AM1* semi-empirical hamiltonian in VAMP
* Much much more...

Interested in finding out more? Attend one of our webinars:

http://accelrys.com/events/webin ... tudio-50/index.html

Best regards,

Stephen Todd, Senior Product Manager, Materials Studio

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