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imation铁杆木虫 (正式写手)
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[交流]
Multiple Scale Materials Design Using Materials Studio
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Multiple Scale Materials Design Using Materials Studio June 13th, 2008 Speaker: Mr. Hua FENG, Chief Technical Officer, NeoTrident Technology Limited, Beijing, P.R. China, Website: www.neotrident.com Date / Time: 16 Jun 2008 - 15:00 Venue: Room 2571B, HKUST (2/F., Lift # 27/28) Abstract: The seminar will introduce the latest Quantum based methods for materials design like DFT LDA+U (CASTEP new version), Linear scaling quantum mechanical calculations (ONETEP), Hybrid classical/quantum molecular dynamics simulation (QMERA). These methods can be used for multiple scale materials design from electrons/atoms to meso-scale segments. This talk will also introduce the latest forcefield based methods and mean-field approximation like Mesotek which can calculate the phase behavior of mixtures of polymers, solvents, and nanoinclusions based on a pseudospectral implementation of Helfand's self-consistent field theory, and provides accurate solutions for concentrated solutions or melts of high-molecular weight polymers. 新的东西，不知道这儿有没有ust的老师、同学 |
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