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imation

铁杆木虫 (正式写手)

[交流] Multiple Scale Materials Design Using Materials Studio

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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linxi1454

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有讲稿分享吗?
2楼2008-06-15 19:18:14
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