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【转载】Material Studio 5.0 出锅咯
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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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