From owner-chemistry@ccl.net Mon Nov 2 13:20:01 2009 From: "Stephen Todd stodd\a/accelrys.com" To: CCL Subject: CCL: Announcement: Materials Studio 5.0 Release Message-Id: <-40591-091102131653-25373-jShlJeYtnjKXGtLCg6zBpQ**server.ccl.net> X-Original-From: "Stephen Todd" Date: Mon, 2 Nov 2009 13:16:50 -0500 Sent to CCL by: "Stephen Todd" [stodd[A]accelrys.com] 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/webinars/materials-studio-50/index.html Best regards, Stephen Todd, Senior Product Manager, Materials Studio