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QM/MM coupling is a widely used technique to perform atomistic simulations of large systems as encountered in materials science and biochemistry.
QMMM Coupling for Crystalline Defect Simulations
【摘 要】
：
QM/MM coupling is a widely used technique to perform atomistic simulations of large systems as encountered in materials science and biochemistry.
【机 构】
：
UniversityofWarwick,UK
【出 处】
：
Workshop on "Multiscale Modeling and Analysis in Materials S
【发表日期】
：
2015年8期
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