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Time Evolution of the Jacobian

It is clear that the future of NEMD simulation lies in the computation of physical properties in real materials. To date, this has been accomplished only in model systems. With the theory and implementation discussed in this chapter, we hope to spark the interest of some young (or even not so young) scientists to pursue these future endeavors. [Pg.389]

T f represents the ith component of the phase space vector. Taking the time derivative of both sides of Eq. [240] gives [Pg.389]


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